N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

C21H26N4O3S2 — CID 42883730

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC(CCSC)c2nc3ccccc3[nH]2)cc(C)c1C
InChIInChI=1S/C21H26N4O3S2/c1-13-11-15(12-19(14(13)2)30(27,28)22-3)21(26)25-18(9-10-29-4)20-23-16-7-5-6-8-17(16)24-20/h5-8,11-12,18,22H,9-10H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyDSBPEXDRFCIFMM-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.31
Rot. Bonds8

About N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide

N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (PubChem CID 42883730) has the molecular formula C21H26N4O3S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
PubChem CID42883730
Molecular FormulaC21H26N4O3S2
Molecular Weight446.60 g/mol
Exact Mass446.14
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NC(CCSC)c2nc3ccccc3[nH]2)cc(C)c1C
InChIInChI=1S/C21H26N4O3S2/c1-13-11-15(12-19(14(13)2)30(27,28)22-3)21(26)25-18(9-10-29-4)20-23-16-7-5-6-8-17(16)24-20/h5-8,11-12,18,22H,9-10H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyDSBPEXDRFCIFMM-UHFFFAOYSA-N
XLogP3.31
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide 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-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-chlorobenzamide
CID 3762861
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-fluoropyridine-3-carboxamide
CID 99624790
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-fluoropyridine-3-carboxamide
CID 99624788
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(methanesulfonamido)benzamide
CID 46560881
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-ethylbenzamide
CID 4807139
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97137653
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 97137654
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1,3-benzodioxole-5-carboxamide
CID 17406192
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5,6-dichloropyridine-3-carboxamide
CID 2128440
3-(azepan-1-ylsulfonyl)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzamide
CID 2515814
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-methylindole-6-carboxamide
CID 86207006
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(3,4-dimethylphenyl)acetamide
CID 4807149

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide (CID 42883730) is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NC(CCSC)c2nc3ccccc3[nH]2)cc(C)c1C.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
The InChIKey is DSBPEXDRFCIFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S2/c1-13-11-15(12-19(14(13)2)30(27,28)22-3)21(26)25-18(9-10-29-4)20-23-16-7-5-6-8-17(16)24-20/h5-8,11-12,18,22H,9-10H2,1-4H3,(H,23,24)(H,25,26).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide has a molecular weight of 446.60 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 42883730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).