3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide

C18H21ClN2O3S — CID 17225616

IUPAC3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)16-5-3-4-6-17(16)21-18(22)11-12-20-25(23,24)15-9-7-14(19)8-10-15/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeySEYALHPFXWTEFS-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.77
Rot. Bonds7

About 3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide

3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 17225616) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID17225616
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-13(2)16-5-3-4-6-17(16)21-18(22)11-12-20-25(23,24)15-9-7-14(19)8-10-15/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeySEYALHPFXWTEFS-UHFFFAOYSA-N
XLogP3.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 17450655
3-[(4-chlorophenyl)sulfonylamino]-N-(3-propan-2-ylphenyl)propanamide
CID 9246818
N-(2-butan-2-ylphenyl)-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192963
3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 17225634
3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
CID 26687749
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192162
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24547916
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
CID 17225690
(2S)-2-chloro-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]propanamide
CID 26584984

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide (CID 17225616) is 3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is SEYALHPFXWTEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13(2)16-5-3-4-6-17(16)21-18(22)11-12-20-25(23,24)15-9-7-14(19)8-10-15/h3-10,13,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide?
3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 380.90 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 17225616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).