N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide

C20H24N4O3S — CID 21008890

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H24N4O3S/c1-3-24(4-2)28(26,27)16-11-9-15(10-12-16)20(25)21-14-13-19-22-17-7-5-6-8-18(17)23-19/h5-12H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyZPCWPLDZLAAACB-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.57
Rot. Bonds8

About N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide (PubChem CID 21008890) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
PubChem CID21008890
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H24N4O3S/c1-3-24(4-2)28(26,27)16-11-9-15(10-12-16)20(25)21-14-13-19-22-17-7-5-6-8-18(17)23-19/h5-12H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyZPCWPLDZLAAACB-UHFFFAOYSA-N
XLogP2.57
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 30209147
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 17438166
3-[2-(1H-benzimidazol-2-yl)ethyl]-1-ethyl-1-methylurea
CID 78917153
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 27161540
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide (CID 21008890) is N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide?
The InChIKey is ZPCWPLDZLAAACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-3-24(4-2)28(26,27)16-11-9-15(10-12-16)20(25)21-14-13-19-22-17-7-5-6-8-18(17)23-19/h5-12H,3-4,13-14H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide has a molecular weight of 400.50 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 21008890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).