N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide

C14H15NO3S2 — CID 39769709

IUPACN-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C14H15NO3S2/c1-9-7-14(11(3)19-9)20(17,18)15-13-6-4-5-12(8-13)10(2)16/h4-8,15H,1-3H3
InChIKeyCHJPGNXSXCSXGU-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.37
Rot. Bonds4

About N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide

N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 39769709) has the molecular formula C14H15NO3S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
PubChem CID39769709
Molecular FormulaC14H15NO3S2
Molecular Weight309.41 g/mol
Exact Mass309.05
IUPAC NameN-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc(C)sc2C)c1
InChIInChI=1S/C14H15NO3S2/c1-9-7-14(11(3)19-9)20(17,18)15-13-6-4-5-12(8-13)10(2)16/h4-8,15H,1-3H3
InChIKeyCHJPGNXSXCSXGU-UHFFFAOYSA-N
XLogP3.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075764
3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenolate
CID 3378223
N-(3-acetylphenyl)-2,4-difluorobenzenesulfonamide
CID 3836234
(3-acetylphenyl)sulfamic acid
CID 12629151
N-(3-acetylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969889
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
N-(2,1,3-benzothiadiazol-5-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 42545354
5-[(2,5-dimethylthiophen-3-yl)sulfonylamino]-2-fluorobenzoic acid
CID 60728615
3-[(3-acetylphenyl)sulfamoyl]-4-methyl-N-(2-methylphenyl)benzamide
CID 1081936
2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 43238239
4-[(3-bromophenyl)sulfamoyl]-5-methylthiophene-2-carboxamide
CID 6502861
1-[3-(tert-butylsulfamoylamino)phenyl]ethanone
CID 113421750

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide (CID 39769709) is N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2cc(C)sc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is CHJPGNXSXCSXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S2/c1-9-7-14(11(3)19-9)20(17,18)15-13-6-4-5-12(8-13)10(2)16/h4-8,15H,1-3H3.
What are the key properties of N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide?
N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 309.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 39769709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).