2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide

C20H24N2OS — CID 119451152

IUPAC2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide
SMILESCc1ccc(SC(C(=O)NC2CCNC2)c2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2OS/c1-14-8-9-18(15(2)12-14)24-19(16-6-4-3-5-7-16)20(23)22-17-10-11-21-13-17/h3-9,12,17,19,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyXLVNHWPBPHPCLM-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.61
Rot. Bonds5

About 2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide

2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119451152) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide
PubChem CID119451152
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide
SMILESCc1ccc(SC(C(=O)NC2CCNC2)c2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2OS/c1-14-8-9-18(15(2)12-14)24-19(16-6-4-3-5-7-16)20(23)22-17-10-11-21-13-17/h3-9,12,17,19,21H,10-11,13H2,1-2H3,(H,22,23)
InChIKeyXLVNHWPBPHPCLM-UHFFFAOYSA-N
XLogP3.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120949038
(2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
CID 2675662
2-(2,4-difluorophenyl)sulfanyl-2-phenyl-N-piperidin-4-ylacetamide
CID 119389227
1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone
CID 119374247
(2S)-N-cyclopropyl-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 9036780
2,2-diphenyl-N-pyrrolidin-3-ylacetamide
CID 21221994
3-methyl-2-phenyl-N-pyrrolidin-3-ylbutanamide
CID 119449948
(2R)-N-cyclopropyl-2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-2-phenylacetamide
CID 9036976
2-(2-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)-2-phenylacetamide
CID 120599851
(2R)-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 118541603
2-(4-methylphenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 82177014
(2R)-N-cyclopropyl-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 27697174

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide (CID 119451152) is 2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide is Cc1ccc(SC(C(=O)NC2CCNC2)c2ccccc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is XLVNHWPBPHPCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c1-14-8-9-18(15(2)12-14)24-19(16-6-4-3-5-7-16)20(23)22-17-10-11-21-13-17/h3-9,12,17,19,21H,10-11,13H2,1-2H3,(H,22,23).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide?
2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 340.49 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119451152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).