N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide

C26H32ClN3O3S — CID 83280299

IUPACN-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
SMILESCC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1C(C)C)C(=O)Cc1ccccc1
InChIInChI=1S/C26H32ClN3O3S/c1-19(2)16-29(25(31)14-21-10-6-5-7-11-21)17-23-15-28-26(30(23)20(3)4)34(32,33)18-22-12-8-9-13-24(22)27/h5-13,15,19-20H,14,16-18H2,1-4H3
InChIKeyJCFQUMGEZTVNRJ-UHFFFAOYSA-N
MW502.08 g/mol
LogP5.32
Rot. Bonds10

About N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide

N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide (PubChem CID 83280299) has the molecular formula C26H32ClN3O3S and a molecular weight of 502.08 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
PubChem CID83280299
Molecular FormulaC26H32ClN3O3S
Molecular Weight502.08 g/mol
Exact Mass501.19
IUPAC NameN-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide
SMILESCC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1C(C)C)C(=O)Cc1ccccc1
InChIInChI=1S/C26H32ClN3O3S/c1-19(2)16-29(25(31)14-21-10-6-5-7-11-21)17-23-15-28-26(30(23)20(3)4)34(32,33)18-22-12-8-9-13-24(22)27/h5-13,15,19-20H,14,16-18H2,1-4H3
InChIKeyJCFQUMGEZTVNRJ-UHFFFAOYSA-N
XLogP5.32
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.08
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide?
The IUPAC name of N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide (CID 83280299) is N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide is CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1C(C)C)C(=O)Cc1ccccc1.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide?
The InChIKey is JCFQUMGEZTVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O3S/c1-19(2)16-29(25(31)14-21-10-6-5-7-11-21)17-23-15-28-26(30(23)20(3)4)34(32,33)18-22-12-8-9-13-24(22)27/h5-13,15,19-20H,14,16-18H2,1-4H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide?
N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide has a molecular weight of 502.08 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-N-(2-methylpropyl)-2-phenylacetamide is sourced from PubChem (CID 83280299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).