N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide

C24H32N4O3S — CID 24550068

IUPACN-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)NCCCc2ccc(C)cc2C)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C24H32N4O3S/c1-4-14-28-22-10-9-20(32(25,30)31)16-21(22)27-23(28)11-12-24(29)26-13-5-6-19-8-7-17(2)15-18(19)3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,26,29)(H2,25,30,31)
InChIKeyNJLXBWHJZFGRMR-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.39
Rot. Bonds10

About N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide

N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide (PubChem CID 24550068) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
PubChem CID24550068
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)NCCCc2ccc(C)cc2C)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C24H32N4O3S/c1-4-14-28-22-10-9-20(32(25,30)31)16-21(22)27-23(28)11-12-24(29)26-13-5-6-19-8-7-17(2)15-18(19)3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,26,29)(H2,25,30,31)
InChIKeyNJLXBWHJZFGRMR-UHFFFAOYSA-N
XLogP3.39
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536739
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 42150528
N-(2-methylpropyl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24537181
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536339
N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 32648596
N-naphthalen-2-yl-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536273
N-(1-phenylethyl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24539843
2-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-1-propylbenzimidazole-5-sulfonamide
CID 46529218
3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 55341704
N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24547672
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-propylpropanamide
CID 24654503
N-(4-phenyl-1,3-thiazol-2-yl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24569101

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide (CID 24550068) is N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide is CCCn1c(CCC(=O)NCCCc2ccc(C)cc2C)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The InChIKey is NJLXBWHJZFGRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-4-14-28-22-10-9-20(32(25,30)31)16-21(22)27-23(28)11-12-24(29)26-13-5-6-19-8-7-17(2)15-18(19)3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,26,29)(H2,25,30,31).
What are the key properties of N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide has a molecular weight of 456.61 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethylphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 24550068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).