N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide

C29H34N4O3S — CID 4239327

IUPACN-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1Cc1ccccc1)n2CC
InChIInChI=1S/C29H34N4O3S/c1-4-32(5-2)37(35,36)24-16-17-27-26(21-24)30-28(33(27)6-3)18-19-29(34)31-25-15-11-10-14-23(25)20-22-12-8-7-9-13-22/h7-17,21H,4-6,18-20H2,1-3H3,(H,31,34)
InChIKeyPPOWXMOGFXBNMF-UHFFFAOYSA-N
MW518.68 g/mol
LogP5.25
Rot. Bonds11

About N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide

N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide (PubChem CID 4239327) has the molecular formula C29H34N4O3S and a molecular weight of 518.68 g/mol. Its IUPAC name is N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
PubChem CID4239327
Molecular FormulaC29H34N4O3S
Molecular Weight518.68 g/mol
Exact Mass518.24
IUPAC NameN-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1Cc1ccccc1)n2CC
InChIInChI=1S/C29H34N4O3S/c1-4-32(5-2)37(35,36)24-16-17-27-26(21-24)30-28(33(27)6-3)18-19-29(34)31-25-15-11-10-14-23(25)20-22-12-8-7-9-13-22/h7-17,21H,4-6,18-20H2,1-3H3,(H,31,34)
InChIKeyPPOWXMOGFXBNMF-UHFFFAOYSA-N
XLogP5.25
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.68
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The IUPAC name of N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide (CID 4239327) is N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide.
What is the SMILES notation for N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The canonical SMILES for N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccccc1Cc1ccccc1)n2CC.
What is the InChIKey of N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
The InChIKey is PPOWXMOGFXBNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3S/c1-4-32(5-2)37(35,36)24-16-17-27-26(21-24)30-28(33(27)6-3)18-19-29(34)31-25-15-11-10-14-23(25)20-22-12-8-7-9-13-22/h7-17,21H,4-6,18-20H2,1-3H3,(H,31,34).
What are the key properties of N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide?
N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide has a molecular weight of 518.68 g/mol, XLogP of 5.25, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide is sourced from PubChem (CID 4239327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).