3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide

C21H24N2O2S — CID 1296490

IUPAC3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(SCCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H24N2O2S/c1-16-8-10-17(11-9-16)26-15-12-20(24)22-19-7-3-2-6-18(19)21(25)23-13-4-5-14-23/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,24)
InChIKeyRUTMCRDBMQBBEE-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.35
Rot. Bonds6

About 3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide

3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 1296490) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID1296490
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCc1ccc(SCCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C21H24N2O2S/c1-16-8-10-17(11-9-16)26-15-12-20(24)22-19-7-3-2-6-18(19)21(25)23-13-4-5-14-23/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,24)
InChIKeyRUTMCRDBMQBBEE-UHFFFAOYSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylsulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1322793
N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
2-(4-methylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 4935995
N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
N-[2-(azepane-1-carbonyl)phenyl]octanamide
CID 4958626
2-methoxyethyl 4-oxo-4-[2-(piperidine-1-carbonyl)anilino]butanoate
CID 17339118
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
3-(4-ethylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 41467944
3-(1,3-dioxoisoindol-2-yl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 1366453
7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119684692

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 1296490) is 3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is RUTMCRDBMQBBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-16-8-10-17(11-9-16)26-15-12-20(24)22-19-7-3-2-6-18(19)21(25)23-13-4-5-14-23/h2-3,6-11H,4-5,12-15H2,1H3,(H,22,24).
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide?
3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 368.50 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 1296490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).