N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide

C27H25Cl2FN4O3S — CID 42827391

IUPACN-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H25Cl2FN4O3S/c1-18(2)15-33(38(36,37)22-11-8-20(28)9-12-22)17-26(35)32-27-31-25(19-6-4-3-5-7-19)16-34(27)21-10-13-24(30)23(29)14-21/h3-14,16,18H,15,17H2,1-2H3,(H,31,32,35)
InChIKeyDTBRUXFJHHZNSM-UHFFFAOYSA-N
MW575.49 g/mol
LogP6.27
Rot. Bonds9

About N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide

N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide (PubChem CID 42827391) has the molecular formula C27H25Cl2FN4O3S and a molecular weight of 575.49 g/mol. Its IUPAC name is N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
PubChem CID42827391
Molecular FormulaC27H25Cl2FN4O3S
Molecular Weight575.49 g/mol
Exact Mass574.10
IUPAC NameN-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C27H25Cl2FN4O3S/c1-18(2)15-33(38(36,37)22-11-8-20(28)9-12-22)17-26(35)32-27-31-25(19-6-4-3-5-7-19)16-34(27)21-10-13-24(30)23(29)14-21/h3-14,16,18H,15,17H2,1-2H3,(H,31,32,35)
InChIKeyDTBRUXFJHHZNSM-UHFFFAOYSA-N
XLogP6.27
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.49
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826566
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 46145792
2-chloro-N-[2-[[1-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 83272806
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
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 46145617
N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide
CID 46145226
N-(1,4-diphenylimidazol-2-yl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 42826895
N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide
CID 46145612
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)imidazol-2-yl]acetamide
CID 42828555
2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830591
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42828259

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide (CID 42827391) is N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
The InChIKey is DTBRUXFJHHZNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2FN4O3S/c1-18(2)15-33(38(36,37)22-11-8-20(28)9-12-22)17-26(35)32-27-31-25(19-6-4-3-5-7-19)16-34(27)21-10-13-24(30)23(29)14-21/h3-14,16,18H,15,17H2,1-2H3,(H,31,32,35).
What are the key properties of N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide?
N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide has a molecular weight of 575.49 g/mol, XLogP of 6.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 42827391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).