N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone

C94H98Cl5F5N10O18S7 — CID 158215633

IUPACN-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone
SMILESCC(C)NC(=O)C1CN(C(=O)Cc2ccc(F)c(Cl)c2)CCS1(=O)=O.CC1CS(=O)(=O)C(c2cccs2)CN1C(=O)Cc1ccc(F)c(Cl)c1.Cn1cnc(-c2ccc(C3CN(C(=O)Cc4ccc(F)c(Cl)c4)CCS3(=O)=O)s2)c1.O=C(NCCc1ccccc1)C1CN(C(=O)Cc2ccc(F)c(Cl)c2)CCS1(=O)=O.O=C(NCc1ccccc1)C1CN(C(=O)Cc2ccc(F)c(Cl)c2)CCS1(=O)=O
InChIInChI=1S/C21H22ClFN2O4S.C20H19ClFN3O3S2.C20H20ClFN2O4S.C17H17ClFNO3S2.C16H20ClFN2O4S/c22-17-12-16(6-7-18(17)23)13-20(26)25-10-11-30(28,29)19(14-25)21(27)24-9-8-15-4-2-1-3-5-15;1-24-10-16(23-12-24)17-4-5-18(29-17)19-11-25(6-7-30(19,27)28)20(26)9-13-2-3-15(22)14(21)8-13;21-16-10-15(6-7-17(16)22)11-19(25)24-8-9-29(27,28)18(13-24)20(26)23-12-14-4-2-1-3-5-14;1-11-10-25(22,23)16(15-3-2-6-24-15)9-20(11)17(21)8-12-4-5-14(19)13(18)7-12;1-10(2)19-16(22)14-9-20(5-6-25(14,23)24)15(21)8-11-3-4-13(18)12(17)7-11/h1-7,12,19H,8-11,13-14H2,(H,24,27);2-5,8,10,12,19H,6-7,9,11H2,1H3;1-7,10,18H,8-9,11-13H2,(H,23,26);2-7,11,16H,8-10H2,1H3;3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,19,22)
InChIKeyGCPMIZXTSGRCHB-UHFFFAOYSA-N
MW2152.59 g/mol
LogP12.09
Rot. Bonds22

About N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone

N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone (PubChem CID 158215633) has the molecular formula C94H98Cl5F5N10O18S7 and a molecular weight of 2152.59 g/mol. Its IUPAC name is N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone.

Molecular Properties

Compound NameN-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone
PubChem CID158215633
Molecular FormulaC94H98Cl5F5N10O18S7
Molecular Weight2152.59 g/mol
Exact Mass2148.35
IUPAC NameN-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone
SMILESCC(C)NC(=O)C1CN(C(=O)Cc2ccc(F)c(Cl)c2)CCS1(=O)=O.CC1CS(=O)(=O)C(c2cccs2)CN1C(=O)Cc1ccc(F)c(Cl)c1.Cn1cnc(-c2ccc(C3CN(C(=O)Cc4ccc(F)c(Cl)c4)CCS3(=O)=O)s2)c1.O=C(NCCc1ccccc1)C1CN(C(=O)Cc2ccc(F)c(Cl)c2)CCS1(=O)=O.O=C(NCc1ccccc1)C1CN(C(=O)Cc2ccc(F)c(Cl)c2)CCS1(=O)=O
InChIInChI=1S/C21H22ClFN2O4S.C20H19ClFN3O3S2.C20H20ClFN2O4S.C17H17ClFNO3S2.C16H20ClFN2O4S/c22-17-12-16(6-7-18(17)23)13-20(26)25-10-11-30(28,29)19(14-25)21(27)24-9-8-15-4-2-1-3-5-15;1-24-10-16(23-12-24)17-4-5-18(29-17)19-11-25(6-7-30(19,27)28)20(26)9-13-2-3-15(22)14(21)8-13;21-16-10-15(6-7-17(16)22)11-19(25)24-8-9-29(27,28)18(13-24)20(26)23-12-14-4-2-1-3-5-14;1-11-10-25(22,23)16(15-3-2-6-24-15)9-20(11)17(21)8-12-4-5-14(19)13(18)7-12;1-10(2)19-16(22)14-9-20(5-6-25(14,23)24)15(21)8-11-3-4-13(18)12(17)7-11/h1-7,12,19H,8-11,13-14H2,(H,24,27);2-5,8,10,12,19H,6-7,9,11H2,1H3;1-7,10,18H,8-9,11-13H2,(H,23,26);2-7,11,16H,8-10H2,1H3;3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,19,22)
InChIKeyGCPMIZXTSGRCHB-UHFFFAOYSA-N
XLogP12.09
TPSA377.37 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002152.59
LogP ≤ 512.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone with MolForge

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Related Compounds

[2-(5-chlorothiophen-2-yl)-4-(2-cyclopropylpyrimidin-5-yl)piperazin-1-yl]-(1,1-dioxothian-4-yl)methanone;(1,1-dioxothian-4-yl)-[2-(3-fluorophenyl)-4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[2-(3-fluorophenyl)-4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone;(1,1-dioxothian-4-yl)-[(2S)-2-(4-fluorophenyl)-4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]methanone
CID 158363177
N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(3-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(3-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(3-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane
CID 157888597
N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(4-pyrimidin-5-ylthiophen-2-yl)-1,2,6-thiadiazinane-3-carboxamide;methane
CID 158112819
N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazinane-3-carboxamide;methane
CID 158353764
(6S)-2-amino-6-[6-(3-chloro-4-fluorophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(5-cyclopropyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-pyridinyl]benzonitrile;(6S)-2-amino-6-(3-fluorothiophen-2-yl)-3,6-dimethyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-imidazol-1-yl-1,4,5-trimethyl-6-oxopyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]piperidine-2-carboxamide
CID 158457032
(4-bromo-3-chlorophenyl)-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5S)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone
CID 159572831
(4-bromo-3-chlorophenyl)-[(2S)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2S)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;(4-bromo-3-chlorophenyl)-[(2R)-2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;2-(3-chloro-4-fluorophenyl)-1-[(2S,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone;2-(3-chloro-4-fluorophenyl)-1-[(2R,5R)-5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl]ethanone
CID 159748630
4-(4-bromo-3-chlorobenzoyl)-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;(4-bromo-3-chlorophenyl)-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]methanone;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-phenyl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-(1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone
CID 160795042

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?
The IUPAC name of N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone (CID 158215633) is N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone.
What is the SMILES notation for N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?
The canonical SMILES for N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone is CC(C)NC(=O)C1CN(C(=O)Cc2ccc(F)c(Cl)c2)CCS1(=O)=O.CC1CS(=O)(=O)C(c2cccs2)CN1C(=O)Cc1ccc(F)c(Cl)c1.Cn1cnc(-c2ccc(C3CN(C(=O)Cc4ccc(F)c(Cl)c4)CCS3(=O)=O)s2)c1.O=C(NCCc1ccccc1)C1CN(C(=O)Cc2ccc(F)c(Cl)c2)CCS1(=O)=O.O=C(NCc1ccccc1)C1CN(C(=O)Cc2ccc(F)c(Cl)c2)CCS1(=O)=O.
What is the InChIKey of N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?
The InChIKey is GCPMIZXTSGRCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O4S.C20H19ClFN3O3S2.C20H20ClFN2O4S.C17H17ClFNO3S2.C16H20ClFN2O4S/c22-17-12-16(6-7-18(17)23)13-20(26)25-10-11-30(28,29)19(14-25)21(27)24-9-8-15-4-2-1-3-5-15;1-24-10-16(23-12-24)17-4-5-18(29-17)19-11-25(6-7-30(19,27)28)20(26)9-13-2-3-15(22)14(21)8-13;21-16-10-15(6-7-17(16)22)11-19(25)24-8-9-29(27,28)18(13-24)20(26)23-12-14-4-2-1-3-5-14;1-11-10-25(22,23)16(15-3-2-6-24-15)9-20(11)17(21)8-12-4-5-14(19)13(18)7-12;1-10(2)19-16(22)14-9-20(5-6-25(14,23)24)15(21)8-11-3-4-13(18)12(17)7-11/h1-7,12,19H,8-11,13-14H2,(H,24,27);2-5,8,10,12,19H,6-7,9,11H2,1H3;1-7,10,18H,8-9,11-13H2,(H,23,26);2-7,11,16H,8-10H2,1H3;3-4,7,10,14H,5-6,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone?
N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone has a molecular weight of 2152.59 g/mol, XLogP of 12.09, 22 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-(2-phenylethyl)-1,4-thiazinane-2-carboxamide;4-[2-(3-chloro-4-fluorophenyl)acetyl]-1,1-dioxo-N-propan-2-yl-1,4-thiazinane-2-carboxamide;2-(3-chloro-4-fluorophenyl)-1-(5-methyl-1,1-dioxo-2-thiophen-2-yl-1,4-thiazinan-4-yl)ethanone;2-(3-chloro-4-fluorophenyl)-1-[2-[5-(1-methylimidazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,4-thiazinan-4-yl]ethanone is sourced from PubChem (CID 158215633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).