(2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide

C20H25NO2S — CID 101089526

IUPAC(2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide
SMILESCC(C)(C)NC(=O)[C@@H](CSc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-20(2,3)21-19(23)17(14-24-16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,17-18,22H,14H2,1-3H3,(H,21,23)/t17-,18+/m0/s1
InChIKeyNWJMTKFJCPTHRQ-ZWKOTPCHSA-N
MW343.49 g/mol
LogP4.04
Rot. Bonds6

About (2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide

(2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide (PubChem CID 101089526) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is (2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide.

Molecular Properties

Compound Name(2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide
PubChem CID101089526
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name(2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide
SMILESCC(C)(C)NC(=O)[C@@H](CSc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-20(2,3)21-19(23)17(14-24-16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,17-18,22H,14H2,1-3H3,(H,21,23)/t17-,18+/m0/s1
InChIKeyNWJMTKFJCPTHRQ-ZWKOTPCHSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide 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

(2R,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide
CID 10739144
(2S,3S)-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)-N,N-di(propan-2-yl)propanamide
CID 101089528
3-Hydroxy-4-phenyl-2-phenylsulfanylbutanamide
CID 134917603
(2S,3R)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylselanylmethyl)propanamide
CID 134920485
N-[4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 75383386
N-[(2S,4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 97233458
N-[(2R,4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 97233459
N-[(2S,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 97233460
N-[(2R,4R)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 97233461
3-(3-fluorophenyl)-3-hydroxy-N-(2-phenylsulfanylethyl)propanamide
CID 109630204
N-(2-benzylsulfinylethyl)-3-(3-fluorophenyl)-3-hydroxypropanamide
CID 109634933
3-(3-fluorophenyl)-3-hydroxy-N-(3-methylsulfanylcyclohexyl)propanamide
CID 109634989

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide?
The IUPAC name of (2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide (CID 101089526) is (2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide.
What is the SMILES notation for (2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide?
The canonical SMILES for (2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide is CC(C)(C)NC(=O)[C@@H](CSc1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide?
The InChIKey is NWJMTKFJCPTHRQ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-20(2,3)21-19(23)17(14-24-16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,17-18,22H,14H2,1-3H3,(H,21,23)/t17-,18+/m0/s1.
What are the key properties of (2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide?
(2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide has a molecular weight of 343.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-tert-butyl-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanamide is sourced from PubChem (CID 101089526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).