4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide

C20H24N2O3S — CID 7685921

IUPAC4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1N1CCCCS1(=O)=O
InChIInChI=1S/C20H24N2O3S/c1-15-14-18(20(23)21-16(2)17-8-4-3-5-9-17)10-11-19(15)22-12-6-7-13-26(22,24)25/h3-5,8-11,14,16H,6-7,12-13H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyFCBMJKFUGKTACK-MRXNPFEDSA-N
MW372.49 g/mol
LogP3.42
Rot. Bonds4

About 4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide

4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 7685921) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide
PubChem CID7685921
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide
SMILESCc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1N1CCCCS1(=O)=O
InChIInChI=1S/C20H24N2O3S/c1-15-14-18(20(23)21-16(2)17-8-4-3-5-9-17)10-11-19(15)22-12-6-7-13-26(22,24)25/h3-5,8-11,14,16H,6-7,12-13H2,1-2H3,(H,21,23)/t16-/m1/s1
InChIKeyFCBMJKFUGKTACK-MRXNPFEDSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-dioxothiazinan-2-yl)-3-methylbenzoic acid
CID 16642520
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
N-[1-(4-tert-butylphenyl)ethyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 132664679
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 7685953
N-(2,5-dichlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7499082
N-[4-(dimethylamino)phenyl]-4-(1,1-dioxothiazinan-2-yl)-3-methylbenzamide
CID 7658997
4-[[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbenzoyl]amino]methyl]benzoic acid
CID 119353404
1-[4-[4-(1,1-dioxothiazinan-2-yl)-3-methylbenzoyl]piperazin-1-yl]ethanone
CID 7685873
N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55693559
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-(3-nitrophenyl)benzamide
CID 7685954
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethyl]-1H-indole-6-carboxamide
CID 126795841

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide (CID 7685921) is 4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide is Cc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1N1CCCCS1(=O)=O.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is FCBMJKFUGKTACK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-14-18(20(23)21-16(2)17-8-4-3-5-9-17)10-11-19(15)22-12-6-7-13-26(22,24)25/h3-5,8-11,14,16H,6-7,12-13H2,1-2H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide?
4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-3-methyl-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 7685921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).