2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide

C21H20ClNO3S2 — CID 40774735

IUPAC2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)Cc2ccc(Cl)cc2)c2cccs2)cc1
InChIInChI=1S/C21H20ClNO3S2/c1-15-4-10-18(11-5-15)28(25,26)20(19-3-2-12-27-19)14-23-21(24)13-16-6-8-17(22)9-7-16/h2-12,20H,13-14H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyDNPRKSYHGAFBTA-FQEVSTJZSA-N
MW433.98 g/mol
LogP4.58
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide

2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide (PubChem CID 40774735) has the molecular formula C21H20ClNO3S2 and a molecular weight of 433.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
PubChem CID40774735
Molecular FormulaC21H20ClNO3S2
Molecular Weight433.98 g/mol
Exact Mass433.06
IUPAC Name2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
SMILESCc1ccc(S(=O)(=O)[C@@H](CNC(=O)Cc2ccc(Cl)cc2)c2cccs2)cc1
InChIInChI=1S/C21H20ClNO3S2/c1-15-4-10-18(11-5-15)28(25,26)20(19-3-2-12-27-19)14-23-21(24)13-16-6-8-17(22)9-7-16/h2-12,20H,13-14H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyDNPRKSYHGAFBTA-FQEVSTJZSA-N
XLogP4.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774967
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774914
4-chloro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193498
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 7268580
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 7268597
N-[(2-chlorophenyl)methyl]-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 22584028
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 22584057
2-(4-ethoxyphenyl)-N-[(2S)-2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
CID 26792473
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-(4-methylphenoxy)acetamide
CID 20962834
N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 27532307
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 20962880

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide (CID 40774735) is 2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide is Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)Cc2ccc(Cl)cc2)c2cccs2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
The InChIKey is DNPRKSYHGAFBTA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20ClNO3S2/c1-15-4-10-18(11-5-15)28(25,26)20(19-3-2-12-27-19)14-23-21(24)13-16-6-8-17(22)9-7-16/h2-12,20H,13-14H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of 2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide?
2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide has a molecular weight of 433.98 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 40774735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).