N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide

C19H23ClN2O3S — CID 132660103

IUPACN-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1cccc(Cl)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-5-18(19(23)21-16-8-6-7-15(20)12-16)22(26(4,24)25)17-10-13(2)9-14(3)11-17/h6-12,18H,5H2,1-4H3,(H,21,23)
InChIKeyOOYXUDVBIZNEQL-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.14
Rot. Bonds6

About N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide

N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide (PubChem CID 132660103) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
PubChem CID132660103
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)Nc1cccc(Cl)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O3S/c1-5-18(19(23)21-16-8-6-7-15(20)12-16)22(26(4,24)25)17-10-13(2)9-14(3)11-17/h6-12,18H,5H2,1-4H3,(H,21,23)
InChIKeyOOYXUDVBIZNEQL-UHFFFAOYSA-N
XLogP4.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 132668305
N-(3-chlorophenyl)-2-(N-methylsulfonyl-3-nitroanilino)butanamide
CID 132664002
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-prop-2-enoxyphenyl)butanamide
CID 132665009
2-(3-chloro-N-methylsulfonylanilino)-N-(3-ethoxyphenyl)butanamide
CID 53282903
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132667648
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide
CID 132664337
methyl 4-[2-(3,5-dimethyl-N-methylsulfonylanilino)butanoylamino]benzoate
CID 132665628
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 132668306
2-(3-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxyphenyl)butanamide
CID 132662341
N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)butanamide
CID 132667812
(2R)-2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)propanamide
CID 126386881
N-[4-(cyanomethyl)phenyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132661104

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide (CID 132660103) is N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide is CCC(C(=O)Nc1cccc(Cl)c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide?
The InChIKey is OOYXUDVBIZNEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-5-18(19(23)21-16-8-6-7-15(20)12-16)22(26(4,24)25)17-10-13(2)9-14(3)11-17/h6-12,18H,5H2,1-4H3,(H,21,23).
What are the key properties of N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide?
N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide has a molecular weight of 394.92 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(3,5-dimethyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 132660103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).