N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide

C21H34N4O3S — CID 32648596

IUPACN-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)N[C@H](C)CCCC(C)C)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C21H34N4O3S/c1-5-13-25-19-10-9-17(29(22,27)28)14-18(19)24-20(25)11-12-21(26)23-16(4)8-6-7-15(2)3/h9-10,14-16H,5-8,11-13H2,1-4H3,(H,23,26)(H2,22,27,28)/t16-/m1/s1
InChIKeyKEQRJEUVEBCILC-MRXNPFEDSA-N
MW422.60 g/mol
LogP3.36
Rot. Bonds11

About N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide

N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide (PubChem CID 32648596) has the molecular formula C21H34N4O3S and a molecular weight of 422.60 g/mol. Its IUPAC name is N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
PubChem CID32648596
Molecular FormulaC21H34N4O3S
Molecular Weight422.60 g/mol
Exact Mass422.24
IUPAC NameN-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)N[C@H](C)CCCC(C)C)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C21H34N4O3S/c1-5-13-25-19-10-9-17(29(22,27)28)14-18(19)24-20(25)11-12-21(26)23-16(4)8-6-7-15(2)3/h9-10,14-16H,5-8,11-13H2,1-4H3,(H,23,26)(H2,22,27,28)/t16-/m1/s1
InChIKeyKEQRJEUVEBCILC-MRXNPFEDSA-N
XLogP3.36
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)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

3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 43005366
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 43005369
N-(2-methylpropyl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24537181
N-(1-phenylethyl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24539843
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(6-methylheptan-2-yl)propanamide
CID 46797564
N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
CID 34674284
N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24547672
3-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]-N-[(2S)-pentan-2-yl]propanamide
CID 34821944
3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 24545524
3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 40795400
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 25339222
N-[(4-methylphenyl)methyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536739

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide (CID 32648596) is N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide is CCCn1c(CCC(=O)N[C@H](C)CCCC(C)C)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The InChIKey is KEQRJEUVEBCILC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H34N4O3S/c1-5-13-25-19-10-9-17(29(22,27)28)14-18(19)24-20(25)11-12-21(26)23-16(4)8-6-7-15(2)3/h9-10,14-16H,5-8,11-13H2,1-4H3,(H,23,26)(H2,22,27,28)/t16-/m1/s1.
What are the key properties of N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide has a molecular weight of 422.60 g/mol, XLogP of 3.36, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 32648596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).