2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide

C19H24N2O3S — CID 1021179

IUPAC2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-15(2)17-9-11-18(12-10-17)20-19(22)14-21(25(3,23)24)13-16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyKOPHEQUWWFEMGR-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.21
Rot. Bonds7

About 2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide

2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 1021179) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID1021179
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-15(2)17-9-11-18(12-10-17)20-19(22)14-21(25(3,23)24)13-16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyKOPHEQUWWFEMGR-UHFFFAOYSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide (CID 1021179) is 2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is KOPHEQUWWFEMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15(2)17-9-11-18(12-10-17)20-19(22)14-21(25(3,23)24)13-16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,20,22).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide?
2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 1021179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).