2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide

C27H27FN4O4S — CID 42828561

IUPAC2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide
SMILESCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C27H27FN4O4S/c1-4-31(37(34,35)23-14-12-22(36-3)13-15-23)18-26(33)30-27-29-25(20-8-6-5-7-9-20)17-32(27)21-11-10-19(2)24(28)16-21/h5-17H,4,18H2,1-3H3,(H,29,30,33)
InChIKeyHHNJYRFEKGTTDY-UHFFFAOYSA-N
MW522.60 g/mol
LogP4.64
Rot. Bonds9

About 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide

2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide (PubChem CID 42828561) has the molecular formula C27H27FN4O4S and a molecular weight of 522.60 g/mol. Its IUPAC name is 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide
PubChem CID42828561
Molecular FormulaC27H27FN4O4S
Molecular Weight522.60 g/mol
Exact Mass522.17
IUPAC Name2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide
SMILESCCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C27H27FN4O4S/c1-4-31(37(34,35)23-14-12-22(36-3)13-15-23)18-26(33)30-27-29-25(20-8-6-5-7-9-20)17-32(27)21-11-10-19(2)24(28)16-21/h5-17H,4,18H2,1-3H3,(H,29,30,33)
InChIKeyHHNJYRFEKGTTDY-UHFFFAOYSA-N
XLogP4.64
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,4-diphenylimidazol-2-yl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 42826895
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145799
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-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-[4-phenyl-1-[4-(trifluoromethyl)phenyl]imidazol-2-yl]acetamide
CID 42829865
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826566
N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 42827391
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42828555
2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 46146559
N-[2-[[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98431956
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145792
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[(4-methylphenyl)sulfonyl-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
CID 98442109

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide?
The IUPAC name of 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide (CID 42828561) is 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide.
What is the SMILES notation for 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide?
The canonical SMILES for 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide is CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C)c(F)c1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide?
The InChIKey is HHNJYRFEKGTTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O4S/c1-4-31(37(34,35)23-14-12-22(36-3)13-15-23)18-26(33)30-27-29-25(20-8-6-5-7-9-20)17-32(27)21-11-10-19(2)24(28)16-21/h5-17H,4,18H2,1-3H3,(H,29,30,33).
What are the key properties of 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide?
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide has a molecular weight of 522.60 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-[1-(3-fluoro-4-methylphenyl)-4-phenylimidazol-2-yl]acetamide is sourced from PubChem (CID 42828561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).