N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide

C20H25ClN2O3S — CID 132663427

IUPACN-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide
SMILESCCC(C(=O)N(C)Cc1ccccc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O3S/c1-5-19(20(24)22(3)14-16-9-7-6-8-10-16)23(27(4,25)26)17-12-11-15(2)18(21)13-17/h6-13,19H,5,14H2,1-4H3
InChIKeyJKENJPQOILKUGB-UHFFFAOYSA-N
MW408.95 g/mol
LogP3.85
Rot. Bonds7

About N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide

N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide (PubChem CID 132663427) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide.

Molecular Properties

Compound NameN-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide
PubChem CID132663427
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC NameN-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide
SMILESCCC(C(=O)N(C)Cc1ccccc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O3S/c1-5-19(20(24)22(3)14-16-9-7-6-8-10-16)23(27(4,25)26)17-12-11-15(2)18(21)13-17/h6-13,19H,5,14H2,1-4H3
InChIKeyJKENJPQOILKUGB-UHFFFAOYSA-N
XLogP3.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132671703
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(4-phenylbutan-2-yl)butanamide
CID 132671099
N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 132662390
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 43905161
2-(4-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132666260
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]butanamide
CID 132663369
N-(3-chloro-4-methylphenyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]methanesulfonamide
CID 132662896
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-benzyl-N-methylacetamide
CID 30170212
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)butanamide
CID 132667077
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 132663846
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 43917021
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylbutanamide
CID 132664767

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide?
The IUPAC name of N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide (CID 132663427) is N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide.
What is the SMILES notation for N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide?
The canonical SMILES for N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide is CCC(C(=O)N(C)Cc1ccccc1)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide?
The InChIKey is JKENJPQOILKUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-5-19(20(24)22(3)14-16-9-7-6-8-10-16)23(27(4,25)26)17-12-11-15(2)18(21)13-17/h6-13,19H,5,14H2,1-4H3.
What are the key properties of N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide?
N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide has a molecular weight of 408.95 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-methylbutanamide is sourced from PubChem (CID 132663427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).