N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide

C18H20ClFN2O3S — CID 55349064

IUPACN-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCc1ccc(NC(=O)C(NS(=O)(=O)c2ccccc2F)C(C)C)c(Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-11(2)17(18(23)21-15-9-8-12(3)10-13(15)19)22-26(24,25)16-7-5-4-6-14(16)20/h4-11,17,22H,1-3H3,(H,21,23)
InChIKeyYJSXUKYRLVOKLR-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.73
Rot. Bonds6

About N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide

N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 55349064) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
PubChem CID55349064
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCc1ccc(NC(=O)C(NS(=O)(=O)c2ccccc2F)C(C)C)c(Cl)c1
InChIInChI=1S/C18H20ClFN2O3S/c1-11(2)17(18(23)21-15-9-8-12(3)10-13(15)19)22-26(24,25)16-7-5-4-6-14(16)20/h4-11,17,22H,1-3H3,(H,21,23)
InChIKeyYJSXUKYRLVOKLR-UHFFFAOYSA-N
XLogP3.73
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 55937923
[(2R)-1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 98406435
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 18114734
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 18128653
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
(2R)-2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 984226
N-(3-amino-4-methoxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide;hydrochloride
CID 119418923
[2-(2,4-dimethylanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849421
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967931
(2S)-2-amino-N-(2-chloro-4-methylphenyl)-3-methylbutanamide
CID 28967933

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide (CID 55349064) is N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide is Cc1ccc(NC(=O)C(NS(=O)(=O)c2ccccc2F)C(C)C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is YJSXUKYRLVOKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-11(2)17(18(23)21-15-9-8-12(3)10-13(15)19)22-26(24,25)16-7-5-4-6-14(16)20/h4-11,17,22H,1-3H3,(H,21,23).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide?
N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 398.89 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 55349064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).