N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide

C22H26N2O4S — CID 30883132

IUPACN-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H26N2O4S/c1-28-21-13-11-20(12-14-21)24(17-22(25)23-19-9-5-6-10-19)29(26,27)16-15-18-7-3-2-4-8-18/h2-4,7-8,11-16,19H,5-6,9-10,17H2,1H3,(H,23,25)/b16-15+
InChIKeyQXMCDBPKMSWHKC-FOCLMDBBSA-N
MW414.53 g/mol
LogP3.56
Rot. Bonds8

About N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide

N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide (PubChem CID 30883132) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide
PubChem CID30883132
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C22H26N2O4S/c1-28-21-13-11-20(12-14-21)24(17-22(25)23-19-9-5-6-10-19)29(26,27)16-15-18-7-3-2-4-8-18/h2-4,7-8,11-16,19H,5-6,9-10,17H2,1H3,(H,23,25)/b16-15+
InChIKeyQXMCDBPKMSWHKC-FOCLMDBBSA-N
XLogP3.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155209
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
N-cyclohexyl-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280380
methyl 5-[(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)methyl]furan-2-carboxylate
CID 6212336
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-cyclohexylacetamide
CID 1100043
2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]-N-cyclohexylbenzamide
CID 126035456
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide
CID 41479536
2-[benzyl-[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 132619617
N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1095298
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
CID 3139224

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide (CID 30883132) is N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide is COc1ccc(N(CC(=O)NC2CCCC2)S(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide?
The InChIKey is QXMCDBPKMSWHKC-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-28-21-13-11-20(12-14-21)24(17-22(25)23-19-9-5-6-10-19)29(26,27)16-15-18-7-3-2-4-8-18/h2-4,7-8,11-16,19H,5-6,9-10,17H2,1H3,(H,23,25)/b16-15+.
What are the key properties of N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide?
N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide has a molecular weight of 414.53 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide is sourced from PubChem (CID 30883132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).