(4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone

C17H19NOS — CID 86952989

IUPAC(4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC2c2ccc(C)s2)cc1
InChIInChI=1S/C17H19NOS/c1-12-5-8-14(9-6-12)17(19)18-11-3-4-15(18)16-10-7-13(2)20-16/h5-10,15H,3-4,11H2,1-2H3
InChIKeySDGILMBYOFPRHR-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.34
Rot. Bonds2

About (4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone

(4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 86952989) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is (4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
PubChem CID86952989
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name(4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCC2c2ccc(C)s2)cc1
InChIInChI=1S/C17H19NOS/c1-12-5-8-14(9-6-12)17(19)18-11-3-4-15(18)16-10-7-13(2)20-16/h5-10,15H,3-4,11H2,1-2H3
InChIKeySDGILMBYOFPRHR-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 86952914
cyclohepten-1-yl-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 99698574
4-[3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-oxopropyl]benzoic acid
CID 86779588
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
3-cyclohexyl-1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propan-1-one
CID 86952952
2-(1-hydroxycyclohexyl)-1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]ethanone
CID 111538762
2-(4-chlorophenyl)-1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]ethanone
CID 86952955
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 53017150
(7-methoxy-2H-chromen-3-yl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 86952966
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 124701146
[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 7271165
5-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53072240

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone (CID 86952989) is (4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCC2c2ccc(C)s2)cc1.
What is the InChIKey of (4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SDGILMBYOFPRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c1-12-5-8-14(9-6-12)17(19)18-11-3-4-15(18)16-10-7-13(2)20-16/h5-10,15H,3-4,11H2,1-2H3.
What are the key properties of (4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone?
(4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 285.41 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86952989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).