2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide

C25H22N4O2S — CID 60608398

IUPAC2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide
SMILESCSc1nccn1-c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1
InChIInChI=1S/C25H22N4O2S/c1-17-21(24(31)27-19-7-4-3-5-8-19)9-6-10-22(17)28-23(30)18-11-13-20(14-12-18)29-16-15-26-25(29)32-2/h3-16H,1-2H3,(H,27,31)(H,28,30)
InChIKeyNTUANWMCOQFHLA-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.41
Rot. Bonds6

About 2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide

2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide (PubChem CID 60608398) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide
PubChem CID60608398
Molecular FormulaC25H22N4O2S
Molecular Weight442.54 g/mol
Exact Mass442.15
IUPAC Name2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide
SMILESCSc1nccn1-c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1
InChIInChI=1S/C25H22N4O2S/c1-17-21(24(31)27-19-7-4-3-5-8-19)9-6-10-22(17)28-23(30)18-11-13-20(14-12-18)29-16-15-26-25(29)32-2/h3-16H,1-2H3,(H,27,31)(H,28,30)
InChIKeyNTUANWMCOQFHLA-UHFFFAOYSA-N
XLogP5.41
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55775744
2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide
CID 41434287
2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-(2-phenylethyl)benzamide
CID 55771473
4-(2-methylsulfanylimidazol-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 47045704
2-[(4-methylbenzoyl)amino]-N-phenylbenzamide
CID 913419
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774767
N-benzyl-4-[2-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]benzamide
CID 53082227
4-(2-methylsulfanylimidazol-1-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 51117639
N-[2-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]ethyl]furan-2-carboxamide
CID 55775678
3-[2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylimidazol-1-yl]-N-phenylbenzamide
CID 51363244
N-[4-(2-ethylimidazol-1-yl)phenyl]-4-methylbenzamide
CID 12797145
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide (CID 60608398) is 2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide is CSc1nccn1-c1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)cc1.
What is the InChIKey of 2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide?
The InChIKey is NTUANWMCOQFHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c1-17-21(24(31)27-19-7-4-3-5-8-19)9-6-10-22(17)28-23(30)18-11-13-20(14-12-18)29-16-15-26-25(29)32-2/h3-16H,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide?
2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide has a molecular weight of 442.54 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 60608398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).