N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide

C15H20F2N2O2S — CID 75520829

IUPACN-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESCSc1c(F)cc(NC(=O)N2CCCC2CC(C)O)cc1F
InChIInChI=1S/C15H20F2N2O2S/c1-9(20)6-11-4-3-5-19(11)15(21)18-10-7-12(16)14(22-2)13(17)8-10/h7-9,11,20H,3-6H2,1-2H3,(H,18,21)
InChIKeyCWJPHEYZMWOQLM-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.45
Rot. Bonds4

About N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide

N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide (PubChem CID 75520829) has the molecular formula C15H20F2N2O2S and a molecular weight of 330.40 g/mol. Its IUPAC name is N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
PubChem CID75520829
Molecular FormulaC15H20F2N2O2S
Molecular Weight330.40 g/mol
Exact Mass330.12
IUPAC NameN-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
SMILESCSc1c(F)cc(NC(=O)N2CCCC2CC(C)O)cc1F
InChIInChI=1S/C15H20F2N2O2S/c1-9(20)6-11-4-3-5-19(11)15(21)18-10-7-12(16)14(22-2)13(17)8-10/h7-9,11,20H,3-6H2,1-2H3,(H,18,21)
InChIKeyCWJPHEYZMWOQLM-UHFFFAOYSA-N
XLogP3.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
2-(2-hydroxypropyl)-N-methylpyrrolidine-1-carboxamide
CID 115481757
(2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide
CID 97070958
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
(2-fluoro-5-methylphenyl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546955
(2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide
CID 97003639
(2R)-N-(4-bromo-3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75468005
(2R)-2-[(2S)-2-hydroxypropyl]-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]pyrrolidine-1-carboxamide
CID 124855855
(3-fluoro-4-methoxyphenyl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546369
(2,4-difluorophenyl)-[2-(2-hydroxypropyl)piperidin-1-yl]methanone
CID 79549414
N-cyclohexyl-2-(2-hydroxypropyl)azepane-1-carboxamide
CID 79560608
2-(2-hydroxypropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 79547049

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide (CID 75520829) is N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide is CSc1c(F)cc(NC(=O)N2CCCC2CC(C)O)cc1F.
What is the InChIKey of N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
The InChIKey is CWJPHEYZMWOQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2S/c1-9(20)6-11-4-3-5-19(11)15(21)18-10-7-12(16)14(22-2)13(17)8-10/h7-9,11,20H,3-6H2,1-2H3,(H,18,21).
What are the key properties of N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide?
N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75520829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).