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

C20H25ClN2O3S — CID 9403064

IUPAC3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25ClN2O3S/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)
InChIKeyPUBHMFYBCXFUOZ-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.25
Rot. Bonds6

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

3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 9403064) has the molecular formula C20H25ClN2O3S and a molecular weight of 408.95 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID9403064
Molecular FormulaC20H25ClN2O3S
Molecular Weight408.95 g/mol
Exact Mass408.13
IUPAC Name3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H25ClN2O3S/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)
InChIKeyPUBHMFYBCXFUOZ-UHFFFAOYSA-N
XLogP4.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-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-fluoro-2-methylphenyl)propanamide
CID 9211693
N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26800125
methyl 3-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-4-methylbenzoate
CID 9495078
3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17225649
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 55464644
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110370450
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78780570
3-[(4-chlorophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 17225585
3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 17225634
N-(5-chloro-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 29355283

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide (CID 9403064) is 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide is Cc1ccc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is PUBHMFYBCXFUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3S/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-chloro-2-methylphenyl)propanamide?
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide has a molecular weight of 408.95 g/mol, XLogP of 4.25, 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-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 9403064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).