N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide

C26H26N4O2S — CID 16526343

IUPACN-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Sc2nc3ccccc3n2CCc2ccccc2)cc1
InChIInChI=1S/C26H26N4O2S/c1-18(25(32)28-22-14-12-21(13-15-22)27-19(2)31)33-26-29-23-10-6-7-11-24(23)30(26)17-16-20-8-4-3-5-9-20/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyREZFFJQBHXSOCP-UHFFFAOYSA-N
MW458.59 g/mol
LogP5.36
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide

N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 16526343) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID16526343
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC NameN-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Sc2nc3ccccc3n2CCc2ccccc2)cc1
InChIInChI=1S/C26H26N4O2S/c1-18(25(32)28-22-14-12-21(13-15-22)27-19(2)31)33-26-29-23-10-6-7-11-24(23)30(26)17-16-20-8-4-3-5-9-20/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyREZFFJQBHXSOCP-UHFFFAOYSA-N
XLogP5.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-carbamoyl-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 4875315
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide
CID 7171358
(2S)-N-(4-acetamidophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylpropanamide
CID 41155155
4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 7171444
(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 40716255
(2S)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25356296
(2S)-2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-(4-chlorophenyl)propanamide
CID 1264259
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 40633499
(2R)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 40785630
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(4-ethylphenyl)propanamide
CID 46574997
N-(4-acetamidophenyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylpropanamide
CID 16533624
(2S)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide (CID 16526343) is N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide is CC(=O)Nc1ccc(NC(=O)C(C)Sc2nc3ccccc3n2CCc2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is REZFFJQBHXSOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-18(25(32)28-22-14-12-21(13-15-22)27-19(2)31)33-26-29-23-10-6-7-11-24(23)30(26)17-16-20-8-4-3-5-9-20/h3-15,18H,16-17H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide?
N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 458.59 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 16526343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).