N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide

C26H22Cl2N4O3S — CID 46145226

IUPACN-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide
SMILESO=C(CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1
InChIInChI=1S/C26H22Cl2N4O3S/c27-19-9-13-23(14-10-19)36(34,35)32(21-11-12-21)17-25(33)30-26-29-24(18-5-2-1-3-6-18)16-31(26)22-8-4-7-20(28)15-22/h1-10,13-16,21H,11-12,17H2,(H,29,30,33)
InChIKeyBVMCEJNAPNOITR-UHFFFAOYSA-N
MW541.46 g/mol
LogP5.64
Rot. Bonds8

About N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide

N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide (PubChem CID 46145226) has the molecular formula C26H22Cl2N4O3S and a molecular weight of 541.46 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide
PubChem CID46145226
Molecular FormulaC26H22Cl2N4O3S
Molecular Weight541.46 g/mol
Exact Mass540.08
IUPAC NameN-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide
SMILESO=C(CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1
InChIInChI=1S/C26H22Cl2N4O3S/c27-19-9-13-23(14-10-19)36(34,35)32(21-11-12-21)17-25(33)30-26-29-24(18-5-2-1-3-6-18)16-31(26)22-8-4-7-20(28)15-22/h1-10,13-16,21H,11-12,17H2,(H,29,30,33)
InChIKeyBVMCEJNAPNOITR-UHFFFAOYSA-N
XLogP5.64
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.46
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropylcyclopentanecarboxamide
CID 46145157
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 46145158
2-[cyclopropyl-(4-methylphenyl)sulfonylamino]-N-[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 46146559
N-[1-(3-chloro-4-fluorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 42827391
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-propan-2-ylbenzamide
CID 46145149
N-[2-[[1-(3-chlorophenyl)-4-(4-chlorophenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-propan-2-ylbenzamide
CID 46146270
N-[1,4-bis(4-methylphenyl)imidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]acetamide
CID 46145612
2-[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826566
N-benzyl-N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42827312
2-(3-chlorophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 23649413
N-(1,4-diphenylimidazol-2-yl)-2-[ethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 42826895
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42829866

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide?
The IUPAC name of N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide (CID 46145226) is N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide is O=C(CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cn1-c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide?
The InChIKey is BVMCEJNAPNOITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N4O3S/c27-19-9-13-23(14-10-19)36(34,35)32(21-11-12-21)17-25(33)30-26-29-24(18-5-2-1-3-6-18)16-31(26)22-8-4-7-20(28)15-22/h1-10,13-16,21H,11-12,17H2,(H,29,30,33).
What are the key properties of N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide?
N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide has a molecular weight of 541.46 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]-2-[(4-chlorophenyl)sulfonyl-cyclopropylamino]acetamide is sourced from PubChem (CID 46145226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).