N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide

C16H24N2OS — CID 106974526

IUPACN-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccccc2SCC)CCCN1
InChIInChI=1S/C16H24N2OS/c1-3-10-16(11-7-12-17-16)15(19)18-13-8-5-6-9-14(13)20-4-2/h5-6,8-9,17H,3-4,7,10-12H2,1-2H3,(H,18,19)
InChIKeyKLTUJKMWCSYCBR-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.66
Rot. Bonds6

About N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide

N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106974526) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106974526
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)Nc2ccccc2SCC)CCCN1
InChIInChI=1S/C16H24N2OS/c1-3-10-16(11-7-12-17-16)15(19)18-13-8-5-6-9-14(13)20-4-2/h5-6,8-9,17H,3-4,7,10-12H2,1-2H3,(H,18,19)
InChIKeyKLTUJKMWCSYCBR-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974417
N-(2,3-dichlorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974147
N-(2,6-diethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106973997
2-propyl-N-quinolin-8-ylpyrrolidine-2-carboxamide
CID 106973994
N-(2-propan-2-yloxy-3-pyridinyl)-2-propylpyrrolidine-2-carboxamide
CID 106974962
N-(2-phenylpropyl)-2-propylpyrrolidine-2-carboxamide
CID 106974945
N-(2-cyano-3-fluorophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974284
N-(2-hydroxy-2-phenylethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974225
N-(4-ethylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974084
N-(2-fluoro-4-methylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974155
1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
CID 115437472
N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980005

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide (CID 106974526) is N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)Nc2ccccc2SCC)CCCN1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is KLTUJKMWCSYCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-3-10-16(11-7-12-17-16)15(19)18-13-8-5-6-9-14(13)20-4-2/h5-6,8-9,17H,3-4,7,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide?
N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106974526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).