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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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).