2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide

C20H25ClN2O3S — CID 132663380

IUPAC2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(C)c1C)N(c1cc(Cl)ccc1C)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O3S/c1-6-18(20(24)22-17-9-7-8-13(2)15(17)4)23(27(5,25)26)19-12-16(21)11-10-14(19)3/h7-12,18H,6H2,1-5H3,(H,22,24)
InChIKeyKOOZBXMYHYZXFZ-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.45
Rot. Bonds6

About 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide (PubChem CID 132663380) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide
PubChem CID132663380
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide
SMILESCCC(C(=O)Nc1cccc(C)c1C)N(c1cc(Cl)ccc1C)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O3S/c1-6-18(20(24)22-17-9-7-8-13(2)15(17)4)23(27(5,25)26)19-12-16(21)11-10-14(19)3/h7-12,18H,6H2,1-5H3,(H,22,24)
InChIKeyKOOZBXMYHYZXFZ-UHFFFAOYSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-chloro-2-methylphenyl)butanamide
CID 132673434
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 132674568
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-chlorophenyl)methyl]butanamide
CID 132668695
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 124561299
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide
CID 132667575
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)butanamide
CID 132672237
N-(4-chlorophenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)butanamide
CID 132660106
N-(2-tert-butylsulfanylethyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)butanamide
CID 132666477
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide
CID 132671648
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 132671738
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]butanamide
CID 132668645
N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)butanamide
CID 132667812

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide (CID 132663380) is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide is CCC(C(=O)Nc1cccc(C)c1C)N(c1cc(Cl)ccc1C)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide?
The InChIKey is KOOZBXMYHYZXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/c1-6-18(20(24)22-17-9-7-8-13(2)15(17)4)23(27(5,25)26)19-12-16(21)11-10-14(19)3/h7-12,18H,6H2,1-5H3,(H,22,24).
What are the key properties of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide?
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide has a molecular weight of 408.95 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)butanamide is sourced from PubChem (CID 132663380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).