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

C23H30N4O4S — CID 24547672

IUPACN-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)NC(CC)c2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C23H30N4O4S/c1-4-14-27-21-11-10-18(32(24,29)30)15-20(21)25-22(27)12-13-23(28)26-19(5-2)16-6-8-17(31-3)9-7-16/h6-11,15,19H,4-5,12-14H2,1-3H3,(H,26,28)(H2,24,29,30)
InChIKeyAWKNBQZIGKNMRM-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.30
Rot. Bonds10

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

N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide (PubChem CID 24547672) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
PubChem CID24547672
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC NameN-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
SMILESCCCn1c(CCC(=O)NC(CC)c2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C23H30N4O4S/c1-4-14-27-21-11-10-18(32(24,29)30)15-20(21)25-22(27)12-13-23(28)26-19(5-2)16-6-8-17(31-3)9-7-16/h6-11,15,19H,4-5,12-14H2,1-3H3,(H,26,28)(H2,24,29,30)
InChIKeyAWKNBQZIGKNMRM-UHFFFAOYSA-N
XLogP3.30
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-phenylethyl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24539843
N-[(2R)-6-methylheptan-2-yl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 32648596
N-(2-methylpropyl)-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24537181
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-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536339
N-naphthalen-2-yl-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536273
3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 24545524
N-[(4-methylphenyl)methyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide
CID 24536739
N-[(2S)-butan-2-yl]-3-[5-(diethylsulfamoyl)-1-propylbenzimidazol-2-yl]propanamide
CID 34674284
2-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]-1-propylbenzimidazole-5-sulfonamide
CID 46529218
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-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide (CID 24547672) is N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide is CCCn1c(CCC(=O)NC(CC)c2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
The InChIKey is AWKNBQZIGKNMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-4-14-27-21-11-10-18(32(24,29)30)15-20(21)25-22(27)12-13-23(28)26-19(5-2)16-6-8-17(31-3)9-7-16/h6-11,15,19H,4-5,12-14H2,1-3H3,(H,26,28)(H2,24,29,30).
What are the key properties of N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide?
N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide has a molecular weight of 458.58 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propyl]-3-(1-propyl-5-sulfamoylbenzimidazol-2-yl)propanamide is sourced from PubChem (CID 24547672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).