2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide

C14H22N2O3S — CID 2228569

IUPAC2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-12(2)15-14(17)11-16(20(3,18)19)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,15,17)
InChIKeyXPMMLNFXMNKMCG-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.02
Rot. Bonds7

About 2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide

2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide (PubChem CID 2228569) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide
PubChem CID2228569
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-12(2)15-14(17)11-16(20(3,18)19)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,15,17)
InChIKeyXPMMLNFXMNKMCG-UHFFFAOYSA-N
XLogP1.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide (CID 2228569) is 2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(CCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide?
The InChIKey is XPMMLNFXMNKMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12(2)15-14(17)11-16(20(3,18)19)10-9-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H,15,17).
What are the key properties of 2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide?
2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide has a molecular weight of 298.41 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 2228569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).