(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide

C14H19NO2S — CID 38920001

IUPAC(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
SMILESCSc1ccc([C@@H](C)NC(=O)[C@H]2CCCO2)cc1
InChIInChI=1S/C14H19NO2S/c1-10(11-5-7-12(18-2)8-6-11)15-14(16)13-4-3-9-17-13/h5-8,10,13H,3-4,9H2,1-2H3,(H,15,16)/t10-,13-/m1/s1
InChIKeyWAVAQSTWSHISPP-ZWNOBZJWSA-N
MW265.38 g/mol
LogP2.76
Rot. Bonds4

About (2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide

(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 38920001) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
PubChem CID38920001
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
SMILESCSc1ccc([C@@H](C)NC(=O)[C@H]2CCCO2)cc1
InChIInChI=1S/C14H19NO2S/c1-10(11-5-7-12(18-2)8-6-11)15-14(16)13-4-3-9-17-13/h5-8,10,13H,3-4,9H2,1-2H3,(H,15,16)/t10-,13-/m1/s1
InChIKeyWAVAQSTWSHISPP-ZWNOBZJWSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1S)-1-phenylethyl]oxolane-2-carboxamide
CID 896917
N-[1-[4-(aminomethyl)phenyl]ethyl]oxolane-2-carboxamide
CID 54936119
methyl (3R)-3-(4-methylsulfanylphenyl)-3-[[(2S)-oxolane-2-carbonyl]amino]propanoate
CID 95304839
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284
N-[1-(4-ethoxyphenyl)ethyl]oxolane-2-carboxamide
CID 17173548
N-[1-(3,4-dichlorophenyl)ethyl]oxolane-2-carboxamide
CID 47004753
(2R)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxolane-2-carboxamide
CID 35367348
N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790566
N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-2-carboxamide
CID 43705280
N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide
CID 46580355
1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38268942
2-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 79388581

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide (CID 38920001) is (2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide is CSc1ccc([C@@H](C)NC(=O)[C@H]2CCCO2)cc1.
What is the InChIKey of (2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is WAVAQSTWSHISPP-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10(11-5-7-12(18-2)8-6-11)15-14(16)13-4-3-9-17-13/h5-8,10,13H,3-4,9H2,1-2H3,(H,15,16)/t10-,13-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide?
(2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 38920001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).