4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide

C19H18N2O3S2 — CID 14639074

IUPAC4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2ccc(CNCc3ccccc3)cc2)cs1
InChIInChI=1S/C19H18N2O3S2/c20-26(23,24)18-10-17(13-25-18)19(22)16-8-6-15(7-9-16)12-21-11-14-4-2-1-3-5-14/h1-10,13,21H,11-12H2,(H2,20,23,24)
InChIKeyLQTPZSWRMCPHTA-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.92
Rot. Bonds7

About 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide

4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide (PubChem CID 14639074) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide
PubChem CID14639074
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(C(=O)c2ccc(CNCc3ccccc3)cc2)cs1
InChIInChI=1S/C19H18N2O3S2/c20-26(23,24)18-10-17(13-25-18)19(22)16-8-6-15(7-9-16)12-21-11-14-4-2-1-3-5-14/h1-10,13,21H,11-12H2,(H2,20,23,24)
InChIKeyLQTPZSWRMCPHTA-UHFFFAOYSA-N
XLogP2.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide 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 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide?
The IUPAC name of 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide (CID 14639074) is 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide is NS(=O)(=O)c1cc(C(=O)c2ccc(CNCc3ccccc3)cc2)cs1.
What is the InChIKey of 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide?
The InChIKey is LQTPZSWRMCPHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c20-26(23,24)18-10-17(13-25-18)19(22)16-8-6-15(7-9-16)12-21-11-14-4-2-1-3-5-14/h1-10,13,21H,11-12H2,(H2,20,23,24).
What are the key properties of 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide?
4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide has a molecular weight of 386.50 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(benzylamino)methyl]benzoyl]thiophene-2-sulfonamide is sourced from PubChem (CID 14639074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).