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

C30H34N4O5S — CID 46145799

IUPAC2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
SMILESCCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C30H34N4O5S/c1-6-33(40(36,37)27-17-15-26(39-5)16-18-27)20-29(35)32-30-31-28(23-9-13-25(38-4)14-10-23)19-34(30)24-11-7-22(8-12-24)21(2)3/h7-19,21H,6,20H2,1-5H3,(H,31,32,35)
InChIKeySFUBONMHKVZZOD-UHFFFAOYSA-N
MW562.69 g/mol
LogP5.33
Rot. Bonds11

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

2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide (PubChem CID 46145799) has the molecular formula C30H34N4O5S and a molecular weight of 562.69 g/mol. Its IUPAC name is 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
PubChem CID46145799
Molecular FormulaC30H34N4O5S
Molecular Weight562.69 g/mol
Exact Mass562.22
IUPAC Name2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
SMILESCCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C30H34N4O5S/c1-6-33(40(36,37)27-17-15-26(39-5)16-18-27)20-29(35)32-30-31-28(23-9-13-25(38-4)14-10-23)19-34(30)24-11-7-22(8-12-24)21(2)3/h7-19,21H,6,20H2,1-5H3,(H,31,32,35)
InChIKeySFUBONMHKVZZOD-UHFFFAOYSA-N
XLogP5.33
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.69
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145792
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42828555
N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetamide
CID 46145795
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826566
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42829866
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
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 46145617
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(propan-2-yl)amino]acetamide
CID 42829849
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 98442109
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[(4-methoxyphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]acetamide
CID 42828322
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide
CID 42829865

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The IUPAC name of 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide (CID 46145799) is 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide.
What is the SMILES notation for 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The canonical SMILES for 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide is CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
The InChIKey is SFUBONMHKVZZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O5S/c1-6-33(40(36,37)27-17-15-26(39-5)16-18-27)20-29(35)32-30-31-28(23-9-13-25(38-4)14-10-23)19-34(30)24-11-7-22(8-12-24)21(2)3/h7-19,21H,6,20H2,1-5H3,(H,31,32,35).
What are the key properties of 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide?
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide has a molecular weight of 562.69 g/mol, XLogP of 5.33, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide is sourced from PubChem (CID 46145799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).