N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide

C22H23BrN2O3S — CID 93479034

IUPACN-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc([C@H](c2cccc(Br)c2)N2CCOCC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C22H23BrN2O3S/c1-2-17-14-18(22(29-17)24-21(26)19-7-4-10-28-19)20(25-8-11-27-12-9-25)15-5-3-6-16(23)13-15/h3-7,10,13-14,20H,2,8-9,11-12H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyBBDUMNUATYRIKZ-FQEVSTJZSA-N
MW475.41 g/mol
LogP5.34
Rot. Bonds6

About N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide

N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (PubChem CID 93479034) has the molecular formula C22H23BrN2O3S and a molecular weight of 475.41 g/mol. Its IUPAC name is N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
PubChem CID93479034
Molecular FormulaC22H23BrN2O3S
Molecular Weight475.41 g/mol
Exact Mass474.06
IUPAC NameN-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
SMILESCCc1cc([C@H](c2cccc(Br)c2)N2CCOCC2)c(NC(=O)c2ccco2)s1
InChIInChI=1S/C22H23BrN2O3S/c1-2-17-14-18(22(29-17)24-21(26)19-7-4-10-28-19)20(25-8-11-27-12-9-25)15-5-3-6-16(23)13-15/h3-7,10,13-14,20H,2,8-9,11-12H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyBBDUMNUATYRIKZ-FQEVSTJZSA-N
XLogP5.34
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.41
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(S)-(3-bromophenyl)-piperidin-1-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93478910
N-[3-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479027
N-[3-[(3-chlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 46740072
N-[5-ethyl-3-[(S)-(3-fluorophenyl)-morpholin-4-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479018
N-[5-ethyl-3-[(S)-morpholin-4-yl(thiophen-3-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479142
N-[5-ethyl-3-[(S)-(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479418
N-[3-[(S)-(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93480637
N-[5-ethyl-3-[(R)-(3-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479417
N-[5-ethyl-3-[(R)-(4-fluorophenyl)-(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]furan-2-carboxamide
CID 93479415
N-[5-ethyl-3-[(S)-(4-methylpiperazin-1-yl)-thiophen-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide
CID 93479448
N-[3-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93479410
N-[3-[(S)-1,3-benzodioxol-5-yl(piperidin-1-yl)methyl]-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 93478916

Frequently Asked Questions

What is the IUPAC name of N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide (CID 93479034) is N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is CCc1cc([C@H](c2cccc(Br)c2)N2CCOCC2)c(NC(=O)c2ccco2)s1.
What is the InChIKey of N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is BBDUMNUATYRIKZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23BrN2O3S/c1-2-17-14-18(22(29-17)24-21(26)19-7-4-10-28-19)20(25-8-11-27-12-9-25)15-5-3-6-16(23)13-15/h3-7,10,13-14,20H,2,8-9,11-12H2,1H3,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide?
N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 475.41 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(S)-(3-bromophenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 93479034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).