2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide

C26H24N4O2S — CID 55771473

IUPAC2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C26H24N4O2S/c1-33-26-28-16-17-30(26)21-11-7-10-20(18-21)24(31)29-23-13-6-5-12-22(23)25(32)27-15-14-19-8-3-2-4-9-19/h2-13,16-18H,14-15H2,1H3,(H,27,32)(H,29,31)
InChIKeyMVVFPTYCOPNIRF-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.82
Rot. Bonds8

About 2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide

2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 55771473) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID55771473
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC Name2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide
SMILESCSc1nccn1-c1cccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C26H24N4O2S/c1-33-26-28-16-17-30(26)21-11-7-10-20(18-21)24(31)29-23-13-6-5-12-22(23)25(32)27-15-14-19-8-3-2-4-9-19/h2-13,16-18H,14-15H2,1H3,(H,27,32)(H,29,31)
InChIKeyMVVFPTYCOPNIRF-UHFFFAOYSA-N
XLogP4.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55868220
N-[2-(4-fluorophenyl)ethyl]-2-[(3-methylbenzoyl)amino]benzamide
CID 26549728
3-(2-methylsulfanylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 47045716
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774767
methyl 3-(2-methylsulfanylimidazol-1-yl)benzoate
CID 155977147
2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide
CID 60608398
3-(2-methylsulfanylimidazol-1-yl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]benzamide
CID 86961638
N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 110895206
3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylethyl)benzamide
CID 39082665
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 87037186
N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55765112

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide (CID 55771473) is 2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide is CSc1nccn1-c1cccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is MVVFPTYCOPNIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-33-26-28-16-17-30(26)21-11-7-10-20(18-21)24(31)29-23-13-6-5-12-22(23)25(32)27-15-14-19-8-3-2-4-9-19/h2-13,16-18H,14-15H2,1H3,(H,27,32)(H,29,31).
What are the key properties of 2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide?
2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 456.57 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 55771473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).