N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide

C19H19NO2S2 — CID 66906758

IUPACN-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
SMILESCc1c(N(CC2CC2)S(=O)(=O)c2ccccc2)sc2ccccc12
InChIInChI=1S/C19H19NO2S2/c1-14-17-9-5-6-10-18(17)23-19(14)20(13-15-11-12-15)24(21,22)16-7-3-2-4-8-16/h2-10,15H,11-13H2,1H3
InChIKeyFLVQHIKZAGIJLE-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.82
Rot. Bonds5

About N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide

N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide (PubChem CID 66906758) has the molecular formula C19H19NO2S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
PubChem CID66906758
Molecular FormulaC19H19NO2S2
Molecular Weight357.50 g/mol
Exact Mass357.09
IUPAC NameN-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide
SMILESCc1c(N(CC2CC2)S(=O)(=O)c2ccccc2)sc2ccccc12
InChIInChI=1S/C19H19NO2S2/c1-14-17-9-5-6-10-18(17)23-19(14)20(13-15-11-12-15)24(21,22)16-7-3-2-4-8-16/h2-10,15H,11-13H2,1H3
InChIKeyFLVQHIKZAGIJLE-UHFFFAOYSA-N
XLogP4.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide (CID 66906758) is N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide is Cc1c(N(CC2CC2)S(=O)(=O)c2ccccc2)sc2ccccc12.
What is the InChIKey of N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide?
The InChIKey is FLVQHIKZAGIJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S2/c1-14-17-9-5-6-10-18(17)23-19(14)20(13-15-11-12-15)24(21,22)16-7-3-2-4-8-16/h2-10,15H,11-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide?
N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide has a molecular weight of 357.50 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(3-methyl-1-benzothiophen-2-yl)benzenesulfonamide is sourced from PubChem (CID 66906758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).