4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide

C13H18N2O2S — CID 61214477

IUPAC4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccccc2SC)C1
InChIInChI=1S/C13H18N2O2S/c1-17-9-7-11(14-8-9)13(16)15-10-5-3-4-6-12(10)18-2/h3-6,9,11,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyXWDSDHFOBJOYJV-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.72
Rot. Bonds4

About 4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide

4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide (PubChem CID 61214477) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide
PubChem CID61214477
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)Nc2ccccc2SC)C1
InChIInChI=1S/C13H18N2O2S/c1-17-9-7-11(14-8-9)13(16)15-10-5-3-4-6-12(10)18-2/h3-6,9,11,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyXWDSDHFOBJOYJV-UHFFFAOYSA-N
XLogP1.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213324
4-methoxy-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 61214161
2-[(4-methoxypyrrolidine-2-carbonyl)amino]benzoic acid
CID 61213078
4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 61215179
4-methoxy-N-phenylpyrrolidine-2-carboxamide
CID 61213145
N-[2-(dimethylcarbamoyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61213314
3-[2-[(4-methoxypyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 107273646
4-methoxy-N-(2-propoxyphenyl)pyrrolidine-2-carboxamide
CID 61214182
N-(2,5-difluorophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214007
N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxypyrrolidine-2-carboxamide
CID 61214081
N-(2-imidazol-1-ylphenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214618
N-(2,4-dibromophenyl)-4-methoxypyrrolidine-2-carboxamide
CID 61214476

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide (CID 61214477) is 4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide is COC1CNC(C(=O)Nc2ccccc2SC)C1.
What is the InChIKey of 4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is XWDSDHFOBJOYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-17-9-7-11(14-8-9)13(16)15-10-5-3-4-6-12(10)18-2/h3-6,9,11,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide?
4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methylsulfanylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61214477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).