2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide

C16H23N3O2S — CID 119552617

IUPAC2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C16H23N3O2S/c1-11(16(21)19(3)14-8-9-17-10-14)22-15-6-4-13(5-7-15)18-12(2)20/h4-7,11,14,17H,8-10H2,1-3H3,(H,18,20)
InChIKeyMSOOJNCYGKJULN-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.95
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide

2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119552617) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119552617
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C16H23N3O2S/c1-11(16(21)19(3)14-8-9-17-10-14)22-15-6-4-13(5-7-15)18-12(2)20/h4-7,11,14,17H,8-10H2,1-3H3,(H,18,20)
InChIKeyMSOOJNCYGKJULN-UHFFFAOYSA-N
XLogP1.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443070
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550046
2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824897
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
N-[4-(pyrrolidin-3-ylmethylsulfanyl)phenyl]acetamide
CID 117033086
4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552534
2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557523
N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 132760057
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
3-(4-cyanophenyl)-1-methyl-1-pyrrolidin-3-ylurea
CID 63297846
2-(4-methoxyphenyl)sulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529909
4-(carbamoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119550546

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide (CID 119552617) is 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide is CC(=O)Nc1ccc(SC(C)C(=O)N(C)C2CCNC2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is MSOOJNCYGKJULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11(16(21)19(3)14-8-9-17-10-14)22-15-6-4-13(5-7-15)18-12(2)20/h4-7,11,14,17H,8-10H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide?
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 321.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119552617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).