N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide

C22H19FN4O3S — CID 86935054

IUPACN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C22H19FN4O3S/c1-31(29,30)27-18-5-3-2-4-15(18)12-21(28)24-17-10-11-19-20(13-17)26-22(25-19)14-6-8-16(23)9-7-14/h2-11,13,27H,12H2,1H3,(H,24,28)(H,25,26)
InChIKeyQTMNRPZNLFDYCX-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.92
Rot. Bonds6

About N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide (PubChem CID 86935054) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
PubChem CID86935054
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
SMILESCS(=O)(=O)Nc1ccccc1CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C22H19FN4O3S/c1-31(29,30)27-18-5-3-2-4-15(18)12-21(28)24-17-10-11-19-20(13-17)26-22(25-19)14-6-8-16(23)9-7-14/h2-11,13,27H,12H2,1H3,(H,24,28)(H,25,26)
InChIKeyQTMNRPZNLFDYCX-UHFFFAOYSA-N
XLogP3.92
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 55965099
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 55964966
2-(2-amino-4-hydroxycyclobutyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 166322510
4-(2-cyanoethylsulfamoyl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]benzamide
CID 55729597
2-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717495
N-[2-[2-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]acetamide
CID 10000153
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide (CID 86935054) is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide is CS(=O)(=O)Nc1ccccc1CC(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
The InChIKey is QTMNRPZNLFDYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-31(29,30)27-18-5-3-2-4-15(18)12-21(28)24-17-10-11-19-20(13-17)26-22(25-19)14-6-8-16(23)9-7-14/h2-11,13,27H,12H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide?
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide has a molecular weight of 438.48 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide is sourced from PubChem (CID 86935054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).