N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C27H32N2O4S — CID 21372673

IUPACN-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCCCc1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H32N2O4S/c1-5-6-7-22-11-13-23(14-12-22)28-27(30)19-29(25-18-21(3)10-17-26(25)33-4)34(31,32)24-15-8-20(2)9-16-24/h8-18H,5-7,19H2,1-4H3,(H,28,30)
InChIKeyKYXKXYUVGQVYRX-UHFFFAOYSA-N
MW480.63 g/mol
LogP5.49
Rot. Bonds10

About N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 21372673) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID21372673
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC NameN-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCCCCc1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H32N2O4S/c1-5-6-7-22-11-13-23(14-12-22)28-27(30)19-29(25-18-21(3)10-17-26(25)33-4)34(31,32)24-15-8-20(2)9-16-24/h8-18H,5-7,19H2,1-4H3,(H,28,30)
InChIKeyKYXKXYUVGQVYRX-UHFFFAOYSA-N
XLogP5.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-methylphenyl)acetamide
CID 30169948
N-(4-butylphenyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 126270925
N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 21371919
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetamide
CID 1210617
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51344518
N-(2,4-dimethylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172229
N-(3-chlorophenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172245
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-(4-propan-2-ylphenyl)acetamide
CID 1372918
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1336957
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51344513
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43880562
2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 2273005

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 21372673) is N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is CCCCc1ccc(NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is KYXKXYUVGQVYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-5-6-7-22-11-13-23(14-12-22)28-27(30)19-29(25-18-21(3)10-17-26(25)33-4)34(31,32)24-15-8-20(2)9-16-24/h8-18H,5-7,19H2,1-4H3,(H,28,30).
What are the key properties of N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 480.63 g/mol, XLogP of 5.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 21372673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).