2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

C21H20N6O3S2 — CID 25038005

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)Sc3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C21H20N6O3S2/c1-13-11-12-22-20(23-13)27-32(29,30)16-9-7-15(8-10-16)24-19(28)14(2)31-21-25-17-5-3-4-6-18(17)26-21/h3-12,14H,1-2H3,(H,24,28)(H,25,26)(H,22,23,27)
InChIKeyUKTKSVQIOLZGFH-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.58
Rot. Bonds7

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (PubChem CID 25038005) has the molecular formula C21H20N6O3S2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
PubChem CID25038005
Molecular FormulaC21H20N6O3S2
Molecular Weight468.56 g/mol
Exact Mass468.10
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)Sc3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C21H20N6O3S2/c1-13-11-12-22-20(23-13)27-32(29,30)16-9-7-15(8-10-16)24-19(28)14(2)31-21-25-17-5-3-4-6-18(17)26-21/h3-12,14H,1-2H3,(H,24,28)(H,25,26)(H,22,23,27)
InChIKeyUKTKSVQIOLZGFH-UHFFFAOYSA-N
XLogP3.58
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]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

N-[4-(acetylsulfamoyl)phenyl]-2-(1H-benzimidazol-2-ylsulfanyl)propanamide
CID 25043673
(2R)-2-(4-methylphenyl)sulfanyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 94012347
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 22110231
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)propanamide
CID 7756121
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25046340
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-bromophenyl)propanamide
CID 7756095
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)propanamide
CID 762694
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 40664669
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenoxypropanamide
CID 3145073
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25037062
(2R)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-phenylbutanamide
CID 1273275
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methylphenyl)propanamide
CID 7756114

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide (CID 25038005) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C(C)Sc3nc4ccccc4[nH]3)cc2)n1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is UKTKSVQIOLZGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S2/c1-13-11-12-22-20(23-13)27-32(29,30)16-9-7-15(8-10-16)24-19(28)14(2)31-21-25-17-5-3-4-6-18(17)26-21/h3-12,14H,1-2H3,(H,24,28)(H,25,26)(H,22,23,27).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 468.56 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 25038005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).