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

C17H21NO4S — CID 7268134

IUPACN-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(C)C)c2ccco2)cc1
InChIInChI=1S/C17H21NO4S/c1-12(2)17(19)18-11-16(15-5-4-10-22-15)23(20,21)14-8-6-13(3)7-9-14/h4-10,12,16H,11H2,1-3H3,(H,18,19)/t16-/m0/s1
InChIKeyVLFJCMPRCRHYGG-INIZCTEOSA-N
MW335.43 g/mol
LogP2.88
Rot. Bonds6

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

N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide (PubChem CID 7268134) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
PubChem CID7268134
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(C)C)c2ccco2)cc1
InChIInChI=1S/C17H21NO4S/c1-12(2)17(19)18-11-16(15-5-4-10-22-15)23(20,21)14-8-6-13(3)7-9-14/h4-10,12,16H,11H2,1-3H3,(H,18,19)/t16-/m0/s1
InChIKeyVLFJCMPRCRHYGG-INIZCTEOSA-N
XLogP2.88
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
CID 7268077
N-[(2R)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 9160195
N-[(2-chlorophenyl)methyl]-N'-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]oxamide
CID 22584517
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]benzamide
CID 7268088
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 7268289
N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]methanesulfonamide
CID 7268396
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-4-nitrobenzamide
CID 7268115
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]oxamide
CID 40774894
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
CID 7268107
2-(4-chlorophenoxy)-N-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]acetamide
CID 40774896
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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide (CID 7268134) is N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide is Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(C)C)c2ccco2)cc1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide?
The InChIKey is VLFJCMPRCRHYGG-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-12(2)17(19)18-11-16(15-5-4-10-22-15)23(20,21)14-8-6-13(3)7-9-14/h4-10,12,16H,11H2,1-3H3,(H,18,19)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide?
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide has a molecular weight of 335.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-2-methylpropanamide is sourced from PubChem (CID 7268134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).