2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide

C35H36N4O5S — CID 42828555

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(C(C)C)cc3)c(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C35H36N4O5S/c1-25(2)27-10-14-29(15-11-27)39-23-33(28-12-16-30(43-3)17-13-28)36-35(39)37-34(40)24-38(22-26-8-6-5-7-9-26)45(41,42)32-20-18-31(44-4)19-21-32/h5-21,23,25H,22,24H2,1-4H3,(H,36,37,40)
InChIKeyXDYZBBDXNCANSL-UHFFFAOYSA-N
MW624.76 g/mol
LogP6.51
Rot. Bonds12

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide (PubChem CID 42828555) has the molecular formula C35H36N4O5S and a molecular weight of 624.76 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
PubChem CID42828555
Molecular FormulaC35H36N4O5S
Molecular Weight624.76 g/mol
Exact Mass624.24
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(C(C)C)cc3)c(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C35H36N4O5S/c1-25(2)27-10-14-29(15-11-27)39-23-33(28-12-16-30(43-3)17-13-28)36-35(39)37-34(40)24-38(22-26-8-6-5-7-9-26)45(41,42)32-20-18-31(44-4)19-21-32/h5-21,23,25H,22,24H2,1-4H3,(H,36,37,40)
InChIKeyXDYZBBDXNCANSL-UHFFFAOYSA-N
XLogP6.51
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.76
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42829866
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 46145617
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145799
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145792
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826566
N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 46145795
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide
CID 42829865
N-benzyl-N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 46146240
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide
CID 42828561
N-(1,4-diphenylimidazol-2-yl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 42826895
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 98442109
2-[acetyl(benzyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830534

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide (CID 42828555) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide is COc1ccc(-c2cn(-c3ccc(C(C)C)cc3)c(NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The InChIKey is XDYZBBDXNCANSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N4O5S/c1-25(2)27-10-14-29(15-11-27)39-23-33(28-12-16-30(43-3)17-13-28)36-35(39)37-34(40)24-38(22-26-8-6-5-7-9-26)45(41,42)32-20-18-31(44-4)19-21-32/h5-21,23,25H,22,24H2,1-4H3,(H,36,37,40).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide has a molecular weight of 624.76 g/mol, XLogP of 6.51, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide is sourced from PubChem (CID 42828555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).