2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide

C21H25ClN2O5S — CID 1263762

IUPAC2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H25ClN2O5S/c1-28-19-12-11-18(13-20(19)29-2)30(26,27)24(17-9-7-15(22)8-10-17)14-21(25)23-16-5-3-4-6-16/h7-13,16H,3-6,14H2,1-2H3,(H,23,25)
InChIKeyNBCBZXAEXWKZLT-UHFFFAOYSA-N
MW452.96 g/mol
LogP3.61
Rot. Bonds8

About 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide

2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide (PubChem CID 1263762) has the molecular formula C21H25ClN2O5S and a molecular weight of 452.96 g/mol. Its IUPAC name is 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide
PubChem CID1263762
Molecular FormulaC21H25ClN2O5S
Molecular Weight452.96 g/mol
Exact Mass452.12
IUPAC Name2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C21H25ClN2O5S/c1-28-19-12-11-18(13-20(19)29-2)30(26,27)24(17-9-7-15(22)8-10-17)14-21(25)23-16-5-3-4-6-16/h7-13,16H,3-6,14H2,1-2H3,(H,23,25)
InChIKeyNBCBZXAEXWKZLT-UHFFFAOYSA-N
XLogP3.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide
CID 999343
N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 2927933
N-cyclopentyl-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1120603
N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718
2-[[2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132642419
(2S)-2-[[2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]-[(3-chlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100501874
(2S)-2-[[2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100598162
2-[[2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132642416
(2S)-2-[[2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]-[(3-chlorophenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100597941
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 23932028
2-[(4-chlorophenyl)methyl-[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]-N-cyclopentylbutanamide
CID 132640405
(2R)-2-[[2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]-N-cyclohexylbutanamide
CID 100605819

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide (CID 1263762) is 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide is COc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide?
The InChIKey is NBCBZXAEXWKZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5S/c1-28-19-12-11-18(13-20(19)29-2)30(26,27)24(17-9-7-15(22)8-10-17)14-21(25)23-16-5-3-4-6-16/h7-13,16H,3-6,14H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide?
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide has a molecular weight of 452.96 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-cyclopentylacetamide is sourced from PubChem (CID 1263762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).