(2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide

C19H22ClNO2S — CID 134930455

IUPAC(2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide
SMILESCCN(CC)C(=O)[C@H](O)[C@H](Sc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2S/c1-3-21(4-2)19(23)17(22)18(14-10-12-15(20)13-11-14)24-16-8-6-5-7-9-16/h5-13,17-18,22H,3-4H2,1-2H3/t17-,18-/m1/s1
InChIKeyQMJJFWMVWOMWGJ-QZTJIDSGSA-N
MW363.91 g/mol
LogP4.40
Rot. Bonds7

About (2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide

(2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide (PubChem CID 134930455) has the molecular formula C19H22ClNO2S and a molecular weight of 363.91 g/mol. Its IUPAC name is (2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide
PubChem CID134930455
Molecular FormulaC19H22ClNO2S
Molecular Weight363.91 g/mol
Exact Mass363.11
IUPAC Name(2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide
SMILESCCN(CC)C(=O)[C@H](O)[C@H](Sc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNO2S/c1-3-21(4-2)19(23)17(22)18(14-10-12-15(20)13-11-14)24-16-8-6-5-7-9-16/h5-13,17-18,22H,3-4H2,1-2H3/t17-,18-/m1/s1
InChIKeyQMJJFWMVWOMWGJ-QZTJIDSGSA-N
XLogP4.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-hydroxy-3-phenyl-3-phenylsulfanylpropanoic acid
CID 11550833
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
2-chloro-2-(4-chlorophenyl)-N,N-diethylacetamide
CID 62225355
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanol
CID 146163389
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
2-[(4-chlorophenyl)-phenylsulfanylmethyl]-3-methylbutanal
CID 3847324
(1R,2S)-1-(4-chlorophenyl)-2-phenylsulfanylpropan-1-ol
CID 101161126
3-(4-chlorophenyl)-3-phenylsulfanylpropanoyl chloride
CID 10064016
(2S)-N,N-dibenzyl-2-(4-chlorophenyl)sulfanylbutanamide
CID 92682333
2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772031
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
2-[(4-chlorophenyl)-hydroxymethyl]butanoic acid
CID 62396823

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide?
The IUPAC name of (2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide (CID 134930455) is (2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide.
What is the SMILES notation for (2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide?
The canonical SMILES for (2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide is CCN(CC)C(=O)[C@H](O)[C@H](Sc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide?
The InChIKey is QMJJFWMVWOMWGJ-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H22ClNO2S/c1-3-21(4-2)19(23)17(22)18(14-10-12-15(20)13-11-14)24-16-8-6-5-7-9-16/h5-13,17-18,22H,3-4H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide?
(2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide has a molecular weight of 363.91 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(4-chlorophenyl)-N,N-diethyl-2-hydroxy-3-phenylsulfanylpropanamide is sourced from PubChem (CID 134930455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).