N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide

C18H18N4O4S2 — CID 25043673

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)Sc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H18N4O4S2/c1-11(27-18-20-15-5-3-4-6-16(15)21-18)17(24)19-13-7-9-14(10-8-13)28(25,26)22-12(2)23/h3-11H,1-2H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyJUTXOZRAFBOFGY-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.51
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide

N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide (PubChem CID 25043673) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide
PubChem CID25043673
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)Sc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H18N4O4S2/c1-11(27-18-20-15-5-3-4-6-16(15)21-18)17(24)19-13-7-9-14(10-8-13)28(25,26)22-12(2)23/h3-11H,1-2H3,(H,19,24)(H,20,21)(H,22,23)
InChIKeyJUTXOZRAFBOFGY-UHFFFAOYSA-N
XLogP2.51
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-bromophenyl)propanamide
CID 7756095
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)propanamide
CID 7756121
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25038005
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 40664669
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)propanamide
CID 762694
N-[4-(acetylsulfamoyl)phenyl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
CID 25049190
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide
CID 7756114
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 22110231
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide
CID 6500981
N-(4-acetamidophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 4817499
N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 25034802
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,3-dimethylphenyl)propanamide
CID 42270862

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide (CID 25043673) is N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(C)Sc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide?
The InChIKey is JUTXOZRAFBOFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-11(27-18-20-15-5-3-4-6-16(15)21-18)17(24)19-13-7-9-14(10-8-13)28(25,26)22-12(2)23/h3-11H,1-2H3,(H,19,24)(H,20,21)(H,22,23).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide?
N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide has a molecular weight of 418.50 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 25043673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).