2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide

C15H24N2O3S — CID 113152686

IUPAC2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(CCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-13(2)16-15(18)12-17(21(3,19)20)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3,(H,16,18)
InChIKeyHKJLEUDEPYANIJ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.41
Rot. Bonds8

About 2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide

2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide (PubChem CID 113152686) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide
PubChem CID113152686
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(CCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-13(2)16-15(18)12-17(21(3,19)20)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3,(H,16,18)
InChIKeyHKJLEUDEPYANIJ-UHFFFAOYSA-N
XLogP1.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140692
2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]-N-propan-2-ylacetamide
CID 113152184
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide
CID 113152755
2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide
CID 113147480
N-benzyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140705
N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151851
2-[methyl(methylsulfonyl)amino]-N-(4-phenylbutan-2-yl)acetamide
CID 43906894
N-(2,6-dimethylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151862
2-[benzyl(methylsulfonyl)amino]-N-[3-(4-propan-2-ylphenyl)propyl]acetamide
CID 100750228
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(2-phenylethyl)amino]-N-propan-2-ylacetamide
CID 19260282
2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
CID 113147718
N-benzyl-2-[3-(dimethylamino)propyl-methylsulfonylamino]acetamide
CID 113150102

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide (CID 113152686) is 2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(CCCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide?
The InChIKey is HKJLEUDEPYANIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13(2)16-15(18)12-17(21(3,19)20)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13H,7,10-12H2,1-3H3,(H,16,18).
What are the key properties of 2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide?
2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide has a molecular weight of 312.44 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 113152686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).