2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide

C18H19N3O5S — CID 134472580

IUPAC2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc3cc(OC)c(O)cc3[nH]2)cc1
InChIInChI=1S/C18H19N3O5S/c1-3-27(24,25)12-6-4-11(5-7-12)8-17(23)21-18-19-13-9-15(22)16(26-2)10-14(13)20-18/h4-7,9-10,22H,3,8H2,1-2H3,(H2,19,20,21,23)
InChIKeyAOEJRXFVTXGWMZ-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.25
Rot. Bonds6

About 2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide

2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide (PubChem CID 134472580) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide
PubChem CID134472580
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2nc3cc(OC)c(O)cc3[nH]2)cc1
InChIInChI=1S/C18H19N3O5S/c1-3-27(24,25)12-6-4-11(5-7-12)8-17(23)21-18-19-13-9-15(22)16(26-2)10-14(13)20-18/h4-7,9-10,22H,3,8H2,1-2H3,(H2,19,20,21,23)
InChIKeyAOEJRXFVTXGWMZ-UHFFFAOYSA-N
XLogP2.25
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)acetamide
CID 18587083
2-(4-ethylsulfonylphenyl)-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)acetamide
CID 41145749
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 41145994
2-(4-ethylsulfonylphenyl)-N-(5-nitro-1,3-benzothiazol-2-yl)acetamide
CID 16850583
methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 41145905
methyl N-(6-hexylsulfonyl-1H-benzimidazol-2-yl)carbamate
CID 70630653
methyl N-(6-octylsulfonyl-1H-benzimidazol-2-yl)carbamate
CID 71323488
2-(4-ethylsulfonylphenyl)-N-[5-fluoro-2-methoxy-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]acetamide
CID 122627283
N-(1H-benzimidazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24539552
2-(4-ethylsulfonylphenyl)-N-[4-(2-methoxypropan-2-yl)phenyl]acetamide
CID 155529665
3-(3,4-dimethoxyphenyl)-N-(4-ethylsulfonylphenyl)propanamide
CID 42021780
N-[4-(5-cyano-2-methoxyphenyl)thiophen-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 134812586

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide (CID 134472580) is 2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2nc3cc(OC)c(O)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide?
The InChIKey is AOEJRXFVTXGWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-3-27(24,25)12-6-4-11(5-7-12)8-17(23)21-18-19-13-9-15(22)16(26-2)10-14(13)20-18/h4-7,9-10,22H,3,8H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide?
2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-(6-hydroxy-5-methoxy-1H-benzimidazol-2-yl)acetamide is sourced from PubChem (CID 134472580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).