2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide

C18H22N2O3S — CID 786754

IUPAC2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O3S/c1-14(2)19-18(21)16-11-7-8-12-17(16)20(24(3,22)23)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyBWPCJSKDZYLKIL-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.79
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide

2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide (PubChem CID 786754) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
PubChem CID786754
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C18H22N2O3S/c1-14(2)19-18(21)16-11-7-8-12-17(16)20(24(3,22)23)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyBWPCJSKDZYLKIL-UHFFFAOYSA-N
XLogP2.79
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide (CID 786754) is 2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is BWPCJSKDZYLKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(2)19-18(21)16-11-7-8-12-17(16)20(24(3,22)23)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide?
2-[benzyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 2.79, 6 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-propan-2-ylbenzamide is sourced from PubChem (CID 786754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).