3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide

C14H22N2O3S — CID 119952293

IUPAC3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
SMILESCC(CCS(C)(=O)=O)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-11(8-9-20(2,18)19)16-14(17)10-13(15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyDVKTUEOBZLBPNR-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.02
Rot. Bonds7

About 3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide

3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide (PubChem CID 119952293) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
PubChem CID119952293
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide
SMILESCC(CCS(C)(=O)=O)NC(=O)CC(N)c1ccccc1
InChIInChI=1S/C14H22N2O3S/c1-11(8-9-20(2,18)19)16-14(17)10-13(15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyDVKTUEOBZLBPNR-UHFFFAOYSA-N
XLogP1.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-N-[(2R)-1-hydroxypropan-2-yl]-3-phenylpropanamide
CID 107218545
5-[(3-amino-3-phenylpropanoyl)amino]hexanoic acid
CID 82846293
3-amino-3-phenyl-N-(4-phenylbutan-2-yl)propanamide;hydrochloride
CID 119948730
3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900838
(3R)-3-amino-3-phenylpropanoic acid;methanesulfonic acid
CID 87900954
3-amino-N-(4-ethylsulfanylbutan-2-yl)-3-phenylpropanamide
CID 115748796
3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
3-amino-N-(2-methyl-4-methylsulfonylbutan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952059
(3R)-3-amino-3-phenyl-N-[(2R)-1-thiophen-2-ylpropan-2-yl]propanamide
CID 93267307
2-amino-4-methylsulfonyl-N-(1-phenylethyl)butanamide
CID 24699634
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide (CID 119952293) is 3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide is CC(CCS(C)(=O)=O)NC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide?
The InChIKey is DVKTUEOBZLBPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11(8-9-20(2,18)19)16-14(17)10-13(15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide?
3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methylsulfonylbutan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 119952293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).