(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide

C19H22N2O2S — CID 39964892

IUPAC(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-3-20-18(22)14(2)21-19(23)17(15-10-6-4-7-11-15)24-16-12-8-5-9-13-16/h4-14,17H,3H2,1-2H3,(H,20,22)(H,21,23)/t14-,17-/m1/s1
InChIKeyKLJPIPJZBZQPAS-RHSMWYFYSA-N
MW342.46 g/mol
LogP3.16
Rot. Bonds7

About (2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide

(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide (PubChem CID 39964892) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide
PubChem CID39964892
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-3-20-18(22)14(2)21-19(23)17(15-10-6-4-7-11-15)24-16-12-8-5-9-13-16/h4-14,17H,3H2,1-2H3,(H,20,22)(H,21,23)/t14-,17-/m1/s1
InChIKeyKLJPIPJZBZQPAS-RHSMWYFYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-heptan-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 7026339
N-[1-(4-ethylphenyl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 4511701
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
N-[2-(diethylamino)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 112759820
N-(6-methylheptan-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 2914171
(2S,3S)-3-hydroxy-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]butanoic acid
CID 25491475
(2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide
CID 36515448
5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592
N-(2-phenoxyethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 16547374
N-[2-(methylamino)propyl]-2-phenyl-2-phenylsulfanylacetamide;hydrochloride
CID 120831508
(2S)-N-benzyl-2-phenyl-2-phenylsulfanylacetamide
CID 1371457
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide?
The IUPAC name of (2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide (CID 39964892) is (2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide.
What is the SMILES notation for (2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide?
The canonical SMILES for (2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide is CCNC(=O)[C@@H](C)NC(=O)[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide?
The InChIKey is KLJPIPJZBZQPAS-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-20-18(22)14(2)21-19(23)17(15-10-6-4-7-11-15)24-16-12-8-5-9-13-16/h4-14,17H,3H2,1-2H3,(H,20,22)(H,21,23)/t14-,17-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide?
(2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide has a molecular weight of 342.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]propanamide is sourced from PubChem (CID 39964892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).