N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C16H24N2OS — CID 106980005

IUPACN-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C16H24N2OS/c1-4-20-14-8-6-5-7-13(14)18-15(19)16(12(2)3)9-10-17-11-16/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyJHPKIOPJNLFPMG-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.37
Rot. Bonds5

About N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980005) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980005
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCSc1ccccc1NC(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C16H24N2OS/c1-4-20-14-8-6-5-7-13(14)18-15(19)16(12(2)3)9-10-17-11-16/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyJHPKIOPJNLFPMG-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979918
3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 106980254
1-(aminomethyl)-N-(2-ethylsulfanylphenyl)cyclohexane-1-carboxamide
CID 115437472
N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979455
N-[(1R)-2-hydroxy-1-phenylethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107863282
N-(2-ethylsulfanylphenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974526
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
2-bromo-N-(2-ethylsulfanylphenyl)propanamide
CID 107904096
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
N-[(4-ethylphenyl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981418
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980005) is N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CCSc1ccccc1NC(=O)C1(C(C)C)CCNC1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is JHPKIOPJNLFPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-20-14-8-6-5-7-13(14)18-15(19)16(12(2)3)9-10-17-11-16/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).