N-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide

C19H17NO3S2 — CID 2809114

IUPACN-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide
SMILESCC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H17NO3S2/c1-13-8-10-16(11-9-13)25(22,23)20-17-12-18(24-19(17)14(2)21)15-6-4-3-5-7-15/h3-12,20H,1-2H3
InChIKeyZTZSRMTVRCPQJT-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.73
Rot. Bonds5

About N-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide

N-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide (PubChem CID 2809114) has the molecular formula C19H17NO3S2 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide
PubChem CID2809114
Molecular FormulaC19H17NO3S2
Molecular Weight371.48 g/mol
Exact Mass371.06
IUPAC NameN-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide
SMILESCC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H17NO3S2/c1-13-8-10-16(11-9-13)25(22,23)20-17-12-18(24-19(17)14(2)21)15-6-4-3-5-7-15/h3-12,20H,1-2H3
InChIKeyZTZSRMTVRCPQJT-UHFFFAOYSA-N
XLogP4.73
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide (CID 2809114) is N-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide is CC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide?
The InChIKey is ZTZSRMTVRCPQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S2/c1-13-8-10-16(11-9-13)25(22,23)20-17-12-18(24-19(17)14(2)21)15-6-4-3-5-7-15/h3-12,20H,1-2H3.
What are the key properties of N-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide?
N-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide has a molecular weight of 371.48 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-5-phenylthiophen-3-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 2809114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).