N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide

C25H26N4O3S — CID 17459495

IUPACN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C25H26N4O3S/c1-3-29(4-2)33(31,32)21-12-8-11-20(15-21)25(30)28-24(18-9-6-5-7-10-18)19-13-14-22-23(16-19)27-17-26-22/h5-17,24H,3-4H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyVVUYBOIZQTYNDE-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.11
Rot. Bonds8

About N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide

N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide (PubChem CID 17459495) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide
PubChem CID17459495
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C25H26N4O3S/c1-3-29(4-2)33(31,32)21-12-8-11-20(15-21)25(30)28-24(18-9-6-5-7-10-18)19-13-14-22-23(16-19)27-17-26-22/h5-17,24H,3-4H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyVVUYBOIZQTYNDE-UHFFFAOYSA-N
XLogP4.11
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(carbamoylamino)benzamide
CID 78839231
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3,4-dimethyl-5-sulfamoylbenzamide
CID 78839242
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2,4-dimethylbenzamide
CID 78836794
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 78894239
3-(dimethylsulfamoyl)-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 46433526
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-bromothiophene-2-carboxamide
CID 78886873
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24621595
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119840627
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N-[(S)-phenyl(thiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 27885939
3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 55461455
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761

Frequently Asked Questions

What is the IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide (CID 17459495) is N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(c2ccccc2)c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is VVUYBOIZQTYNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-3-29(4-2)33(31,32)21-12-8-11-20(15-21)25(30)28-24(18-9-6-5-7-10-18)19-13-14-22-23(16-19)27-17-26-22/h5-17,24H,3-4H2,1-2H3,(H,26,27)(H,28,30).
What are the key properties of N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide?
N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 462.58 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 17459495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).