2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide

C14H22N2O3S — CID 113147480

IUPAC2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide
SMILESCCCN(CC(=O)NC(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-4-10-16(20(3,18)19)11-14(17)15-12(2)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,15,17)
InChIKeyRSJSQBDIFSBHNY-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.54
Rot. Bonds7

About 2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide

2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide (PubChem CID 113147480) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide
PubChem CID113147480
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide
SMILESCCCN(CC(=O)NC(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-4-10-16(20(3,18)19)11-14(17)15-12(2)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,15,17)
InChIKeyRSJSQBDIFSBHNY-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 133201701
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2231151
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 133178675
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165835
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2854471
2-[methylsulfonyl(3-phenylpropyl)amino]-N-propan-2-ylacetamide
CID 113152686
3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
2-[acetyl(pentyl)amino]-N-(1-phenylethyl)acetamide
CID 113166676
3-(4-methyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 113141895
2-[ethyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]acetic acid
CID 61012431

Frequently Asked Questions

What is the IUPAC name of 2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide (CID 113147480) is 2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide is CCCN(CC(=O)NC(C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide?
The InChIKey is RSJSQBDIFSBHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-10-16(20(3,18)19)11-14(17)15-12(2)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,15,17).
What are the key properties of 2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide?
2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methylsulfonyl(propyl)amino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 113147480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).