2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

C20H24N2O3S2 — CID 7377209

IUPAC2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24N2O3S2/c23-20(16-26-15-17-8-3-1-4-9-17)21-18-10-7-11-19(14-18)27(24,25)22-12-5-2-6-13-22/h1,3-4,7-11,14H,2,5-6,12-13,15-16H2,(H,21,23)
InChIKeyLVVRUDPFRGXWPG-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.73
Rot. Bonds7

About 2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 7377209) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID7377209
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC Name2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24N2O3S2/c23-20(16-26-15-17-8-3-1-4-9-17)21-18-10-7-11-19(14-18)27(24,25)22-12-5-2-6-13-22/h1,3-4,7-11,14H,2,5-6,12-13,15-16H2,(H,21,23)
InChIKeyLVVRUDPFRGXWPG-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide 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-[(3-methylphenyl)methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7926182
2-[(4-bromophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 112781729
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-[(2-cyanophenyl)methylsulfanyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8967393
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 31766906
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylpropanoate
CID 7654688
N-(3-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7753229
2-piperidin-1-ium-1-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 8894737
2-naphthalen-1-yl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7926207
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 4870004
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide (CID 7377209) is 2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is O=C(CSCc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is LVVRUDPFRGXWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c23-20(16-26-15-17-8-3-1-4-9-17)21-18-10-7-11-19(14-18)27(24,25)22-12-5-2-6-13-22/h1,3-4,7-11,14H,2,5-6,12-13,15-16H2,(H,21,23).
What are the key properties of 2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide?
2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 404.56 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 7377209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).