N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide

C24H24N4O4S — CID 70688399

IUPACN-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C24H24N4O4S/c1-2-33(31,32)28-18-10-8-16(9-11-18)14-15-25-24(30)19-12-13-20(29)22-21(19)26-23(27-22)17-6-4-3-5-7-17/h3-13,28-29H,2,14-15H2,1H3,(H,25,30)(H,26,27)
InChIKeyITPNVJMCQZWWKC-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.67
Rot. Bonds8

About N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide

N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide (PubChem CID 70688399) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide
PubChem CID70688399
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide
SMILESCCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(-c4ccccc4)nc23)cc1
InChIInChI=1S/C24H24N4O4S/c1-2-33(31,32)28-18-10-8-16(9-11-18)14-15-25-24(30)19-12-13-20(29)22-21(19)26-23(27-22)17-6-4-3-5-7-17/h3-13,28-29H,2,14-15H2,1H3,(H,25,30)(H,26,27)
InChIKeyITPNVJMCQZWWKC-UHFFFAOYSA-N
XLogP3.67
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide (CID 70688399) is N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide is CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(-c4ccccc4)nc23)cc1.
What is the InChIKey of N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide?
The InChIKey is ITPNVJMCQZWWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-2-33(31,32)28-18-10-8-16(9-11-18)14-15-25-24(30)19-12-13-20(29)22-21(19)26-23(27-22)17-6-4-3-5-7-17/h3-13,28-29H,2,14-15H2,1H3,(H,25,30)(H,26,27).
What are the key properties of N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide?
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.67, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-7-hydroxy-2-phenyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 70688399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).