N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide

C17H25N3O2S — CID 119691926

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccccc1SCC(N)=O)C1CCCNC1
InChIInChI=1S/C17H25N3O2S/c1-12(13-5-4-8-19-10-13)9-17(22)20-14-6-2-3-7-15(14)23-11-16(18)21/h2-3,6-7,12-13,19H,4-5,8-11H2,1H3,(H2,18,21)(H,20,22)
InChIKeyJUGLATRXFPSVGC-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.23
Rot. Bonds7

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119691926) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
PubChem CID119691926
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccccc1SCC(N)=O)C1CCCNC1
InChIInChI=1S/C17H25N3O2S/c1-12(13-5-4-8-19-10-13)9-17(22)20-14-6-2-3-7-15(14)23-11-16(18)21/h2-3,6-7,12-13,19H,4-5,8-11H2,1H3,(H2,18,21)(H,20,22)
InChIKeyJUGLATRXFPSVGC-UHFFFAOYSA-N
XLogP2.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide 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

N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide
CID 119733611
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
CID 119759521
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 119684708
N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
CID 81048657
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119814476
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide (CID 119691926) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccccc1SCC(N)=O)C1CCCNC1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is JUGLATRXFPSVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12(13-5-4-8-19-10-13)9-17(22)20-14-6-2-3-7-15(14)23-11-16(18)21/h2-3,6-7,12-13,19H,4-5,8-11H2,1H3,(H2,18,21)(H,20,22).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 335.47 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119691926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).