N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide

C21H21NO5S — CID 7268107

IUPACN-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H21NO5S/c1-15-8-10-18(11-9-15)28(24,25)20(19-7-4-12-27-19)14-22-21(23)16-5-3-6-17(13-16)26-2/h3-13,20H,14H2,1-2H3,(H,22,23)/t20-/m0/s1
InChIKeyJSZSZEKPZOLFRK-FQEVSTJZSA-N
MW399.47 g/mol
LogP3.54
Rot. Bonds7

About N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide

N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide (PubChem CID 7268107) has the molecular formula C21H21NO5S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
PubChem CID7268107
Molecular FormulaC21H21NO5S
Molecular Weight399.47 g/mol
Exact Mass399.11
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H21NO5S/c1-15-8-10-18(11-9-15)28(24,25)20(19-7-4-12-27-19)14-22-21(23)16-5-3-6-17(13-16)26-2/h3-13,20H,14H2,1-2H3,(H,22,23)/t20-/m0/s1
InChIKeyJSZSZEKPZOLFRK-FQEVSTJZSA-N
XLogP3.54
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 9162221
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-3-methoxybenzamide
CID 9162219
N-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 22584481
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3,4,5-trimethoxybenzamide
CID 27506094
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
CID 7268077
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-nitrobenzamide
CID 7268115
2,6-difluoro-N-[2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]benzamide
CID 20962895
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
CID 7268134
5-bromo-N-[(2S)-2-(furan-2-yl)-2-(4-methoxyphenyl)sulfonylethyl]furan-2-carboxamide
CID 26792715
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 9160400

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide (CID 7268107) is N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide is COc1cccc(C(=O)NC[C@@H](c2ccco2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide?
The InChIKey is JSZSZEKPZOLFRK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21NO5S/c1-15-8-10-18(11-9-15)28(24,25)20(19-7-4-12-27-19)14-22-21(23)16-5-3-6-17(13-16)26-2/h3-13,20H,14H2,1-2H3,(H,22,23)/t20-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide?
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide has a molecular weight of 399.47 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide is sourced from PubChem (CID 7268107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).