N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide

C23H21N3O4S — CID 18586261

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C23H21N3O4S/c1-30-18-9-11-19(12-10-18)31(28,29)14-13-22(27)24-17-6-4-5-16(15-17)23-25-20-7-2-3-8-21(20)26-23/h2-12,15H,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyIBPPJAJSWCWVGD-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.04
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide (PubChem CID 18586261) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
PubChem CID18586261
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide
SMILESCOc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C23H21N3O4S/c1-30-18-9-11-19(12-10-18)31(28,29)14-13-22(27)24-17-6-4-5-16(15-17)23-25-20-7-2-3-8-21(20)26-23/h2-12,15H,13-14H2,1H3,(H,24,27)(H,25,26)
InChIKeyIBPPJAJSWCWVGD-UHFFFAOYSA-N
XLogP4.04
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide 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-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide (CID 18586261) is N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide is COc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide?
The InChIKey is IBPPJAJSWCWVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-30-18-9-11-19(12-10-18)31(28,29)14-13-22(27)24-17-6-4-5-16(15-17)23-25-20-7-2-3-8-21(20)26-23/h2-12,15H,13-14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide has a molecular weight of 435.51 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(4-methoxyphenyl)sulfonylpropanamide is sourced from PubChem (CID 18586261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).