N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide

C18H20N2O4S — CID 26965624

IUPACN-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-12(2)18(22)19-15-7-9-16(10-8-15)20-25(23,24)17-6-4-5-14(11-17)13(3)21/h4-12,20H,1-3H3,(H,19,22)
InChIKeyHYBIKLFBFIJZPZ-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.28
Rot. Bonds6

About N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide

N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide (PubChem CID 26965624) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide
PubChem CID26965624
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1
InChIInChI=1S/C18H20N2O4S/c1-12(2)18(22)19-15-7-9-16(10-8-15)20-25(23,24)17-6-4-5-14(11-17)13(3)21/h4-12,20H,1-3H3,(H,19,22)
InChIKeyHYBIKLFBFIJZPZ-UHFFFAOYSA-N
XLogP3.28
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
4-[[3-[(3-acetylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1355824
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
2-methyl-N-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]propanamide
CID 26965637
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
3-[(4-acetylphenyl)sulfamoyl]-N-(3-methylbutyl)benzamide
CID 109065339
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide (CID 26965624) is N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1.
What is the InChIKey of N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide?
The InChIKey is HYBIKLFBFIJZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12(2)18(22)19-15-7-9-16(10-8-15)20-25(23,24)17-6-4-5-14(11-17)13(3)21/h4-12,20H,1-3H3,(H,19,22).
What are the key properties of N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide?
N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide has a molecular weight of 360.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 26965624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).