N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C22H19NO3S2 — CID 66907050

IUPACN-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S2/c1-26-19-13-11-17(12-14-19)16-23(28(24,25)20-8-3-2-4-9-20)22-15-18-7-5-6-10-21(18)27-22/h2-15H,16H2,1H3
InChIKeyYYDWKXFJNQAJHE-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.31
Rot. Bonds6

About N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 66907050) has the molecular formula C22H19NO3S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID66907050
Molecular FormulaC22H19NO3S2
Molecular Weight409.53 g/mol
Exact Mass409.08
IUPAC NameN-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19NO3S2/c1-26-19-13-11-17(12-14-19)16-23(28(24,25)20-8-3-2-4-9-20)22-15-18-7-5-6-10-21(18)27-22/h2-15H,16H2,1H3
InChIKeyYYDWKXFJNQAJHE-UHFFFAOYSA-N
XLogP5.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]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-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 66907050) is N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CN(c2cc3ccccc3s2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is YYDWKXFJNQAJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3S2/c1-26-19-13-11-17(12-14-19)16-23(28(24,25)20-8-3-2-4-9-20)22-15-18-7-5-6-10-21(18)27-22/h2-15H,16H2,1H3.
What are the key properties of N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 409.53 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 66907050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).