N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide

C22H19N3O4S — CID 18586167

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N3O4S/c1-29-17-10-12-18(13-11-17)30(27,28)14-21(26)23-16-8-6-15(7-9-16)22-24-19-4-2-3-5-20(19)25-22/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyGZRAXNOCGAMWLB-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.65
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide (PubChem CID 18586167) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide
PubChem CID18586167
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N3O4S/c1-29-17-10-12-18(13-11-17)30(27,28)14-21(26)23-16-8-6-15(7-9-16)22-24-19-4-2-3-5-20(19)25-22/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyGZRAXNOCGAMWLB-UHFFFAOYSA-N
XLogP3.65
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1H-benzimidazol-2-ylmethyl)thio]-N-(2-methoxyphenyl)acetamide
CID 583439
2-(1-((4-methoxyphenyl)sulfonyl)piperidin-4-yl)-1H-benzo[d]imidazole
CID 16582832
2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 58381102
2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007833
2-[2-[(E)-2-(4-ethoxyphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59008035
N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide
CID 742346
2-[[2-(2-methylphenoxy)ethylthio]methyl]-1H-benzimidazole
CID 1589778
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(4-methoxyphenyl)acetamide
CID 2114800
N-[(3-methoxyphenyl)methyl]-2-[(5-methyl-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamide
CID 2553721
5-[4-(4-Methoxy-benzenesulfonyl)-benzyl]-2-methyl-5,6,7,8-tetrahydro-1H-imidazo[4,5-g]quinoline
CID 15131027
N-(4-methoxyphenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 15989541
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16280841

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide (CID 18586167) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide is COc1ccc(S(=O)(=O)CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide?
The InChIKey is GZRAXNOCGAMWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-29-17-10-12-18(13-11-17)30(27,28)14-21(26)23-16-8-6-15(7-9-16)22-24-19-4-2-3-5-20(19)25-22/h2-13H,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide has a molecular weight of 421.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methoxyphenyl)sulfonylacetamide is sourced from PubChem (CID 18586167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).