2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

C19H30ClN3O2S — CID 119824897

IUPAC2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)Sc1ccc(NC(C)=O)cc1)C1CCNCC1.Cl
InChIInChI=1S/C19H29N3O2S.ClH/c1-4-13-22(17-9-11-20-12-10-17)19(24)14(2)25-18-7-5-16(6-8-18)21-15(3)23;/h5-8,14,17,20H,4,9-13H2,1-3H3,(H,21,23);1H
InChIKeyWKRMOFRTKFZVGX-UHFFFAOYSA-N
MW399.99 g/mol
LogP3.54
Rot. Bonds7

About 2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (PubChem CID 119824897) has the molecular formula C19H30ClN3O2S and a molecular weight of 399.99 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
PubChem CID119824897
Molecular FormulaC19H30ClN3O2S
Molecular Weight399.99 g/mol
Exact Mass399.17
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)Sc1ccc(NC(C)=O)cc1)C1CCNCC1.Cl
InChIInChI=1S/C19H29N3O2S.ClH/c1-4-13-22(17-9-11-20-12-10-17)19(24)14(2)25-18-7-5-16(6-8-18)21-15(3)23;/h5-8,14,17,20H,4,9-13H2,1-3H3,(H,21,23);1H
InChIKeyWKRMOFRTKFZVGX-UHFFFAOYSA-N
XLogP3.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.99
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119826199
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443070
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 119552617
2-(4-methoxyphenyl)sulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529909
2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119823825
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824836
3-phenyl-1-piperidin-4-yl-1-propylurea
CID 18372791
N-[4-(piperidin-4-ylmethylsulfanyl)phenyl]acetamide
CID 82303870
4-(phenylcarbamoylamino)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824537
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530341
2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530953
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (CID 119824897) is 2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is CCCN(C(=O)C(C)Sc1ccc(NC(C)=O)cc1)C1CCNCC1.Cl.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The InChIKey is WKRMOFRTKFZVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S.ClH/c1-4-13-22(17-9-11-20-12-10-17)19(24)14(2)25-18-7-5-16(6-8-18)21-15(3)23;/h5-8,14,17,20H,4,9-13H2,1-3H3,(H,21,23);1H.
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride has a molecular weight of 399.99 g/mol, XLogP of 3.54, 7 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-piperidin-4-yl-N-propylpropanamide;hydrochloride is sourced from PubChem (CID 119824897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).