4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide

C15H17NO3S2 — CID 65244040

IUPAC4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cc(C)c(C)s2)cc1
InChIInChI=1S/C15H17NO3S2/c1-10-8-14(20-12(10)3)9-16-21(18,19)15-6-4-13(5-7-15)11(2)17/h4-8,16H,9H2,1-3H3
InChIKeyHLXDEUHXXOPNEP-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.05
Rot. Bonds5

About 4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide

4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 65244040) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
PubChem CID65244040
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC Name4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cc(C)c(C)s2)cc1
InChIInChI=1S/C15H17NO3S2/c1-10-8-14(20-12(10)3)9-16-21(18,19)15-6-4-13(5-7-15)11(2)17/h4-8,16H,9H2,1-3H3
InChIKeyHLXDEUHXXOPNEP-UHFFFAOYSA-N
XLogP3.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 65245455
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 65243443
4-amino-3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246067
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 106612374
3-amino-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 65246459
4-[(4,5-dimethylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 65246293
3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 65245602
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 81441299
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzenesulfonamide
CID 65246264
4-acetyl-N-[(2-methoxy-4,5-dimethylphenyl)methyl]benzenesulfonamide
CID 110780799
4-(aminomethyl)-3-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide
CID 107091539
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide (CID 65244040) is 4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2cc(C)c(C)s2)cc1.
What is the InChIKey of 4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is HLXDEUHXXOPNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-10-8-14(20-12(10)3)9-16-21(18,19)15-6-4-13(5-7-15)11(2)17/h4-8,16H,9H2,1-3H3.
What are the key properties of 4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide?
4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(4,5-dimethylthiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 65244040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).