2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide

C23H21N3O2S — CID 16539497

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C23H21N3O2S/c1-2-28-20-15-9-8-14-19(20)24-22(27)21(16-10-4-3-5-11-16)29-23-25-17-12-6-7-13-18(17)26-23/h3-15,21H,2H2,1H3,(H,24,27)(H,25,26)
InChIKeyPQGIWVLEWBFCEN-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.43
Rot. Bonds7

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide (PubChem CID 16539497) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
PubChem CID16539497
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C23H21N3O2S/c1-2-28-20-15-9-8-14-19(20)24-22(27)21(16-10-4-3-5-11-16)29-23-25-17-12-6-7-13-18(17)26-23/h3-15,21H,2H2,1H3,(H,24,27)(H,25,26)
InChIKeyPQGIWVLEWBFCEN-UHFFFAOYSA-N
XLogP5.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 136712452
N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide
CID 18130809
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7464564
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539544
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
CID 7228798
N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide
CID 56583498
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 7755983
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide
CID 8907250
2-(1H-benzimidazol-2-ylsulfanyl)-2-phenylacetohydrazide
CID 63581501
methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate
CID 18078996
N-(2-ethoxyphenyl)-2-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3714253
(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 41037870

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide (CID 16539497) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide is CCOc1ccccc1NC(=O)C(Sc1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
The InChIKey is PQGIWVLEWBFCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-2-28-20-15-9-8-14-19(20)24-22(27)21(16-10-4-3-5-11-16)29-23-25-17-12-6-7-13-18(17)26-23/h3-15,21H,2H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide has a molecular weight of 403.51 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 16539497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).