3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide

C20H25FN2O3S — CID 9211693

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25FN2O3S/c1-14-5-8-16(21)13-18(14)23-19(24)11-12-22-27(25,26)17-9-6-15(7-10-17)20(2,3)4/h5-10,13,22H,11-12H2,1-4H3,(H,23,24)
InChIKeyHRXIQBNUJNOCGP-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.74
Rot. Bonds6

About 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide

3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide (PubChem CID 9211693) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
PubChem CID9211693
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25FN2O3S/c1-14-5-8-16(21)13-18(14)23-19(24)11-12-22-27(25,26)17-9-6-15(7-10-17)20(2,3)4/h5-10,13,22H,11-12H2,1-4H3,(H,23,24)
InChIKeyHRXIQBNUJNOCGP-UHFFFAOYSA-N
XLogP3.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 9403064
4-tert-butyl-N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 9340595
3-(4-tert-butylphenoxy)-N-(5-fluoro-2-methylphenyl)propanamide
CID 18208025
ethyl 4-[[4-(5-fluoro-2-methylanilino)-4-oxobutyl]sulfamoyl]benzoate
CID 9211647
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 55464644
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370450
4-tert-butyl-N-[(5-fluoro-2-methylphenyl)methyl]benzenesulfonamide
CID 3673716
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192157

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide (CID 9211693) is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide is Cc1ccc(F)cc1NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide?
The InChIKey is HRXIQBNUJNOCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-14-5-8-16(21)13-18(14)23-19(24)11-12-22-27(25,26)17-9-6-15(7-10-17)20(2,3)4/h5-10,13,22H,11-12H2,1-4H3,(H,23,24).
What are the key properties of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide?
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 9211693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).