(2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide

C12H17NO2S — CID 124595607

IUPAC(2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide
SMILESC[C@H](CO)S[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO2S/c1-9(8-14)16-10(2)12(15)13-11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyQTSFDQRSNFGVLH-NXEZZACHSA-N
MW239.34 g/mol
LogP2.13
Rot. Bonds5

About (2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide

(2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide (PubChem CID 124595607) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide
PubChem CID124595607
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide
SMILESC[C@H](CO)S[C@H](C)C(=O)Nc1ccccc1
InChIInChI=1S/C12H17NO2S/c1-9(8-14)16-10(2)12(15)13-11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H,13,15)/t9-,10-/m1/s1
InChIKeyQTSFDQRSNFGVLH-NXEZZACHSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-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-(1-anilino-1-oxopropan-2-yl)sulfanylbutanoic acid
CID 66136028
2-(1-hydroxypropan-2-ylamino)-N-phenylpropanamide
CID 43499919
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-N-phenylpropanamide
CID 79248901
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
2,3-dihydroxy-N-phenylpropanamide;hydrate
CID 141005572
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
2-[1-hydroxypropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 113426304
(2R)-2-amino-N-phenylpropanamide
CID 10607114
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N-phenylpropanamide
CID 115454689

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide?
The IUPAC name of (2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide (CID 124595607) is (2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide?
The canonical SMILES for (2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide is C[C@H](CO)S[C@H](C)C(=O)Nc1ccccc1.
What is the InChIKey of (2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide?
The InChIKey is QTSFDQRSNFGVLH-NXEZZACHSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-9(8-14)16-10(2)12(15)13-11-6-4-3-5-7-11/h3-7,9-10,14H,8H2,1-2H3,(H,13,15)/t9-,10-/m1/s1.
What are the key properties of (2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide?
(2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide has a molecular weight of 239.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-1-hydroxypropan-2-yl]sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 124595607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).