2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide

C20H23ClN2O4S — CID 29431173

IUPAC2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O4S/c1-27-19-12-5-4-11-18(19)23(14-20(24)22-16-8-2-3-9-16)28(25,26)17-10-6-7-15(21)13-17/h4-7,10-13,16H,2-3,8-9,14H2,1H3,(H,22,24)
InChIKeyDDXIVWOTRQLRJS-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.60
Rot. Bonds7

About 2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide

2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide (PubChem CID 29431173) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide
PubChem CID29431173
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O4S/c1-27-19-12-5-4-11-18(19)23(14-20(24)22-16-8-2-3-9-16)28(25,26)17-10-6-7-15(21)13-17/h4-7,10-13,16H,2-3,8-9,14H2,1H3,(H,22,24)
InChIKeyDDXIVWOTRQLRJS-UHFFFAOYSA-N
XLogP3.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
CID 3139224
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide
CID 999343
N-cyclohexyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280380
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide
CID 1203936
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 1100043
(2S)-2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]-[(3-chlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100596034
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide
CID 1098058
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 1263762
2-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126030244
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 2177494
N-cyclohexyl-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172207
2-[[2-[N-(benzenesulfonyl)-2-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126033321

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide?
The IUPAC name of 2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide (CID 29431173) is 2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide?
The canonical SMILES for 2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide is COc1ccccc1N(CC(=O)NC1CCCC1)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide?
The InChIKey is DDXIVWOTRQLRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-27-19-12-5-4-11-18(19)23(14-20(24)22-16-8-2-3-9-16)28(25,26)17-10-6-7-15(21)13-17/h4-7,10-13,16H,2-3,8-9,14H2,1H3,(H,22,24).
What are the key properties of 2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide?
2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide has a molecular weight of 422.93 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide is sourced from PubChem (CID 29431173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).