2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide

C24H37N3O3S — CID 83287398

IUPAC2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
SMILESCc1cccc(CS(=O)(=O)c2ncc(CN(CC(C)C)C(=O)C(C)C)n2CC(C)C)c1
InChIInChI=1S/C24H37N3O3S/c1-17(2)13-26(23(28)19(5)6)15-22-12-25-24(27(22)14-18(3)4)31(29,30)16-21-10-8-9-20(7)11-21/h8-12,17-19H,13-16H2,1-7H3
InChIKeyZLHPGBNILJDCSD-UHFFFAOYSA-N
MW447.65 g/mol
LogP4.46
Rot. Bonds10

About 2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide

2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide (PubChem CID 83287398) has the molecular formula C24H37N3O3S and a molecular weight of 447.65 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
PubChem CID83287398
Molecular FormulaC24H37N3O3S
Molecular Weight447.65 g/mol
Exact Mass447.26
IUPAC Name2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
SMILESCc1cccc(CS(=O)(=O)c2ncc(CN(CC(C)C)C(=O)C(C)C)n2CC(C)C)c1
InChIInChI=1S/C24H37N3O3S/c1-17(2)13-26(23(28)19(5)6)15-22-12-25-24(27(22)14-18(3)4)31(29,30)16-21-10-8-9-20(7)11-21/h8-12,17-19H,13-16H2,1-7H3
InChIKeyZLHPGBNILJDCSD-UHFFFAOYSA-N
XLogP4.46
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide (CID 83287398) is 2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide is Cc1cccc(CS(=O)(=O)c2ncc(CN(CC(C)C)C(=O)C(C)C)n2CC(C)C)c1.
What is the InChIKey of 2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide?
The InChIKey is ZLHPGBNILJDCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3S/c1-17(2)13-26(23(28)19(5)6)15-22-12-25-24(27(22)14-18(3)4)31(29,30)16-21-10-8-9-20(7)11-21/h8-12,17-19H,13-16H2,1-7H3.
What are the key properties of 2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide?
2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide has a molecular weight of 447.65 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(3-methylphenyl)methylsulfonyl]-3-(2-methylpropyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 83287398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).