2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride

C17H26ClN3O2S — CID 119443070

IUPAC2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCC(=O)Nc1ccc(SC(C)C(=O)N(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C17H25N3O2S.ClH/c1-12(17(22)20(3)15-8-10-18-11-9-15)23-16-6-4-14(5-7-16)19-13(2)21;/h4-7,12,15,18H,8-11H2,1-3H3,(H,19,21);1H
InChIKeyJAESLIVTQJJFAV-UHFFFAOYSA-N
MW371.93 g/mol
LogP2.76
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride

2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119443070) has the molecular formula C17H26ClN3O2S and a molecular weight of 371.93 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119443070
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93 g/mol
Exact Mass371.14
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCC(=O)Nc1ccc(SC(C)C(=O)N(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C17H25N3O2S.ClH/c1-12(17(22)20(3)15-8-10-18-11-9-15)23-16-6-4-14(5-7-16)19-13(2)21;/h4-7,12,15,18H,8-11H2,1-3H3,(H,19,21);1H
InChIKeyJAESLIVTQJJFAV-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 119552617
2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824897
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550046
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443855
N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 132760057
N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide
CID 82303870
(2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 170897786
4-acetamido-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119549858
2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119826199
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557523
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride (CID 119443070) is 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride is CC(=O)Nc1ccc(SC(C)C(=O)N(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is JAESLIVTQJJFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.ClH/c1-12(17(22)20(3)15-8-10-18-11-9-15)23-16-6-4-14(5-7-16)19-13(2)21;/h4-7,12,15,18H,8-11H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 371.93 g/mol, XLogP of 2.76, 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-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119443070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).