2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

C18H28ClN3O2S — CID 119557523

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C18H27N3O2S.ClH/c1-13(18(23)20-11-9-15-4-3-10-19-12-15)24-17-7-5-16(6-8-17)21-14(2)22;/h5-8,13,15,19H,3-4,9-12H2,1-2H3,(H,20,23)(H,21,22);1H
InChIKeyCXOWEZCSISNCBX-UHFFFAOYSA-N
MW385.96 g/mol
LogP3.05
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride

2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (PubChem CID 119557523) has the molecular formula C18H28ClN3O2S and a molecular weight of 385.96 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
PubChem CID119557523
Molecular FormulaC18H28ClN3O2S
Molecular Weight385.96 g/mol
Exact Mass385.16
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
SMILESCC(=O)Nc1ccc(SC(C)C(=O)NCCC2CCCNC2)cc1.Cl
InChIInChI=1S/C18H27N3O2S.ClH/c1-13(18(23)20-11-9-15-4-3-10-19-12-15)24-17-7-5-16(6-8-17)21-14(2)22;/h5-8,13,15,19H,3-4,9-12H2,1-2H3,(H,20,23)(H,21,22);1H
InChIKeyCXOWEZCSISNCBX-UHFFFAOYSA-N
XLogP3.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.96
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555109
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
2-benzylsulfanyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555725
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534892
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 119552617
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119559244
N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide
CID 82182072
2-(3-fluorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119556344
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443070
N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 119557493

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride (CID 119557523) is 2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride is CC(=O)Nc1ccc(SC(C)C(=O)NCCC2CCCNC2)cc1.Cl.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
The InChIKey is CXOWEZCSISNCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S.ClH/c1-13(18(23)20-11-9-15-4-3-10-19-12-15)24-17-7-5-16(6-8-17)21-14(2)22;/h5-8,13,15,19H,3-4,9-12H2,1-2H3,(H,20,23)(H,21,22);1H.
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride?
2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride has a molecular weight of 385.96 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride is sourced from PubChem (CID 119557523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).