N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide

C20H25ClN2O3S — CID 2206356

IUPACN-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
SMILESCCCCc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-4-5-6-16-8-10-17(11-9-16)22-20(24)14-23(27(3,25)26)18-12-7-15(2)19(21)13-18/h7-13H,4-6,14H2,1-3H3,(H,22,24)
InChIKeyWJMXDQXSSCYINA-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.40
Rot. Bonds8

About N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide

N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 2206356) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
PubChem CID2206356
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
SMILESCCCCc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C20H25ClN2O3S/c1-4-5-6-16-8-10-17(11-9-16)22-20(24)14-23(27(3,25)26)18-12-7-15(2)19(21)13-18/h7-13H,4-6,14H2,1-3H3,(H,22,24)
InChIKeyWJMXDQXSSCYINA-UHFFFAOYSA-N
XLogP4.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-butylphenyl)acetamide
CID 2224772
N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 17201138
N-(4-bromo-3-methylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 1338903
N-(4-butylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126310646
N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126035088
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 998783
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133166319
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113154961
N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 2209357
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-iodo-2-methylphenyl)acetamide
CID 126137101
N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 126261953

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide (CID 2206356) is N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide is CCCCc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is WJMXDQXSSCYINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-4-5-6-16-8-10-17(11-9-16)22-20(24)14-23(27(3,25)26)18-12-7-15(2)19(21)13-18/h7-13H,4-6,14H2,1-3H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide?
N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 408.95 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2206356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).