N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide

C18H22N2O3S3 — CID 30574331

IUPACN-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
SMILESCSc1ccccc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S3/c1-24-16-9-3-2-8-15(16)19-17(21)13-14-7-4-5-11-20(14)26(22,23)18-10-6-12-25-18/h2-3,6,8-10,12,14H,4-5,7,11,13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyQYGHXVUDKBRRBZ-CQSZACIVSA-N
MW410.59 g/mol
LogP4.04
Rot. Bonds6

About N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide

N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide (PubChem CID 30574331) has the molecular formula C18H22N2O3S3 and a molecular weight of 410.59 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
PubChem CID30574331
Molecular FormulaC18H22N2O3S3
Molecular Weight410.59 g/mol
Exact Mass410.08
IUPAC NameN-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
SMILESCSc1ccccc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S3/c1-24-16-9-3-2-8-15(16)19-17(21)13-14-7-4-5-11-20(14)26(22,23)18-10-6-12-25-18/h2-3,6,8-10,12,14H,4-5,7,11,13H2,1H3,(H,19,21)/t14-/m1/s1
InChIKeyQYGHXVUDKBRRBZ-CQSZACIVSA-N
XLogP4.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]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

N-(2-methoxyphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574540
N-(2,6-dimethylphenyl)-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574510
N-(3,5-dimethylphenyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
CID 16826867
N-(3,4-difluorophenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574409
N-cyclohexyl-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 26562522
N-[(2,6-difluorophenyl)methyl]-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 30574482
N-(3-phenylpropyl)-2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)acetamide
CID 16826871
N'-(2-chlorophenyl)-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195896
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
N-(2-fluorophenyl)-2-[(2S)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 42065307
2-(2-chloropropyl)-1-thiophen-2-ylsulfonylazepane
CID 112748624
2-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 16826819

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide (CID 30574331) is N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide is CSc1ccccc1NC(=O)C[C@H]1CCCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
The InChIKey is QYGHXVUDKBRRBZ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O3S3/c1-24-16-9-3-2-8-15(16)19-17(21)13-14-7-4-5-11-20(14)26(22,23)18-10-6-12-25-18/h2-3,6,8-10,12,14H,4-5,7,11,13H2,1H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide?
N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide has a molecular weight of 410.59 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide is sourced from PubChem (CID 30574331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).