3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide

C15H24N2O3S — CID 113136085

IUPAC3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
SMILESCC(C)N(CCC(=O)NCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-13(2)17(21(3,19)20)12-10-15(18)16-11-9-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,16,18)
InChIKeyPJJVJFAWTHIBAZ-UHFFFAOYSA-N
MW312.43 g/mol
LogP1.41
Rot. Bonds8

About 3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide

3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide (PubChem CID 113136085) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
PubChem CID113136085
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
SMILESCC(C)N(CCC(=O)NCCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-13(2)17(21(3,19)20)12-10-15(18)16-11-9-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,16,18)
InChIKeyPJJVJFAWTHIBAZ-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 ≤ 500312.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
CID 113147718
3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 113137081
3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143427
N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143155
N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136060
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
CID 113122843
3-[furan-2-ylmethyl(methylsulfonyl)amino]-N-(2-phenylethyl)propanamide
CID 113138485
N-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147701
N-(2-phenylethyl)butanamide;sulfuryl dichloride
CID 163813551
3-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-(2-phenylethyl)propanamide
CID 113139567
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143992
N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147731

Frequently Asked Questions

What is the IUPAC name of 3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide (CID 113136085) is 3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide is CC(C)N(CCC(=O)NCCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide?
The InChIKey is PJJVJFAWTHIBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-13(2)17(21(3,19)20)12-10-15(18)16-11-9-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,16,18).
What are the key properties of 3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide?
3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide has a molecular weight of 312.43 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 3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 113136085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).