2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide

C25H22ClN3O3S — CID 22423007

IUPAC2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2nc(-c3ccc(C)cc3)cn2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C25H22ClN3O3S/c1-17-6-10-19(11-7-17)23-15-29(22-5-3-4-20(26)14-22)25(28-23)33(31,32)16-24(30)27-21-12-8-18(2)9-13-21/h3-15H,16H2,1-2H3,(H,27,30)
InChIKeyNURVPSMJEMQMJT-UHFFFAOYSA-N
MW479.99 g/mol
LogP5.22
Rot. Bonds6

About 2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide

2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide (PubChem CID 22423007) has the molecular formula C25H22ClN3O3S and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide
PubChem CID22423007
Molecular FormulaC25H22ClN3O3S
Molecular Weight479.99 g/mol
Exact Mass479.11
IUPAC Name2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS(=O)(=O)c2nc(-c3ccc(C)cc3)cn2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C25H22ClN3O3S/c1-17-6-10-19(11-7-17)23-15-29(22-5-3-4-20(26)14-22)25(28-23)33(31,32)16-24(30)27-21-12-8-18(2)9-13-21/h3-15H,16H2,1-2H3,(H,27,30)
InChIKeyNURVPSMJEMQMJT-UHFFFAOYSA-N
XLogP5.22
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-[4-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfonylacetamide
CID 22423002
2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfonyl-N-phenylacetamide
CID 22423019
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 46145149
2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4088320
2-(3-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 1486366
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46146259
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
CID 46146270
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)propanamide
CID 113143815
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
N-(3-chlorophenyl)-2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylacetamide
CID 126390491
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-[[4-(3-chlorophenyl)-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1130312

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide (CID 22423007) is 2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CS(=O)(=O)c2nc(-c3ccc(C)cc3)cn2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide?
The InChIKey is NURVPSMJEMQMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3S/c1-17-6-10-19(11-7-17)23-15-29(22-5-3-4-20(26)14-22)25(28-23)33(31,32)16-24(30)27-21-12-8-18(2)9-13-21/h3-15H,16H2,1-2H3,(H,27,30).
What are the key properties of 2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide?
2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide has a molecular weight of 479.99 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-4-(4-methylphenyl)imidazol-2-yl]sulfonyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 22423007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).