2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide

C15H22N2O2S — CID 120945499

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
SMILESCc1ccc(SCC(=O)NCC2CNCC2O)c(C)c1
InChIInChI=1S/C15H22N2O2S/c1-10-3-4-14(11(2)5-10)20-9-15(19)17-7-12-6-16-8-13(12)18/h3-5,12-13,16,18H,6-9H2,1-2H3,(H,17,19)
InChIKeyNPFCIAVCHKGUBN-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.09
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide (PubChem CID 120945499) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
PubChem CID120945499
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
SMILESCc1ccc(SCC(=O)NCC2CNCC2O)c(C)c1
InChIInChI=1S/C15H22N2O2S/c1-10-3-4-14(11(2)5-10)20-9-15(19)17-7-12-6-16-8-13(12)18/h3-5,12-13,16,18H,6-9H2,1-2H3,(H,17,19)
InChIKeyNPFCIAVCHKGUBN-UHFFFAOYSA-N
XLogP1.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120949038
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide;hydrochloride
CID 120946086
2-(2,4-dimethylphenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134026679
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 120947870
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 120943410
2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 2616367
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-iodo-5-methylbenzamide;hydrochloride
CID 120948282
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120944416
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 120947359
1-(2,4-dimethylphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120948985
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 120944779

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide (CID 120945499) is 2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide is Cc1ccc(SCC(=O)NCC2CNCC2O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The InChIKey is NPFCIAVCHKGUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-3-4-14(11(2)5-10)20-9-15(19)17-7-12-6-16-8-13(12)18/h3-5,12-13,16,18H,6-9H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide has a molecular weight of 294.42 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 120945499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).