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

C21H20N4O4S — CID 18124167

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H20N4O4S/c1-14(20-24-18-6-2-3-7-19(18)25-20)23-21(26)15-8-10-17(11-9-15)30(27,28)22-13-16-5-4-12-29-16/h2-12,14,22H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyRFEOMLWUGDDYOC-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.13
Rot. Bonds7

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

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 18124167) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID18124167
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESCC(NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H20N4O4S/c1-14(20-24-18-6-2-3-7-19(18)25-20)23-21(26)15-8-10-17(11-9-15)30(27,28)22-13-16-5-4-12-29-16/h2-12,14,22H,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyRFEOMLWUGDDYOC-UHFFFAOYSA-N
XLogP3.13
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 55471877
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 16596277
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55488977
4-(furan-2-ylmethylsulfamoyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709322
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 55347369
4-(furan-2-ylmethylsulfamoyl)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 41277628
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
CID 78806018
3-(furan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 43006795
N-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
CID 46994776

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 18124167) is N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is CC(NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is RFEOMLWUGDDYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-14(20-24-18-6-2-3-7-19(18)25-20)23-21(26)15-8-10-17(11-9-15)30(27,28)22-13-16-5-4-12-29-16/h2-12,14,22H,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 424.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 18124167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).