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

C22H32ClN3O3S — CID 83280297

IUPACN-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1C(C)C)C(=O)C(C)C
InChIInChI=1S/C22H32ClN3O3S/c1-15(2)12-25(21(27)16(3)4)13-19-11-24-22(26(19)17(5)6)30(28,29)14-18-9-7-8-10-20(18)23/h7-11,15-17H,12-14H2,1-6H3
InChIKeyNCRLKYMCTMJWHG-UHFFFAOYSA-N
MW454.04 g/mol
LogP4.73
Rot. Bonds9

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

N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 83280297) has the molecular formula C22H32ClN3O3S and a molecular weight of 454.04 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID83280297
Molecular FormulaC22H32ClN3O3S
Molecular Weight454.04 g/mol
Exact Mass453.19
IUPAC NameN-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1C(C)C)C(=O)C(C)C
InChIInChI=1S/C22H32ClN3O3S/c1-15(2)12-25(21(27)16(3)4)13-19-11-24-22(26(19)17(5)6)30(28,29)14-18-9-7-8-10-20(18)23/h7-11,15-17H,12-14H2,1-6H3
InChIKeyNCRLKYMCTMJWHG-UHFFFAOYSA-N
XLogP4.73
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.04
LogP ≤ 54.73
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]-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide (CID 83280297) is N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide is CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2Cl)n1C(C)C)C(=O)C(C)C.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is NCRLKYMCTMJWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32ClN3O3S/c1-15(2)12-25(21(27)16(3)4)13-19-11-24-22(26(19)17(5)6)30(28,29)14-18-9-7-8-10-20(18)23/h7-11,15-17H,12-14H2,1-6H3.
What are the key properties of N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide?
N-[[2-[(2-chlorophenyl)methylsulfonyl]-3-propan-2-ylimidazol-4-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 454.04 g/mol, XLogP of 4.73, 9 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]-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 83280297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).