N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C17H20N2O3S3 — CID 22429402

IUPACN-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCSc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C17H20N2O3S3/c1-23-15-7-2-6-14(11-15)18-17(20)13-5-3-9-19(12-13)25(21,22)16-8-4-10-24-16/h2,4,6-8,10-11,13H,3,5,9,12H2,1H3,(H,18,20)
InChIKeyLZCBNRHAAUTAMM-UHFFFAOYSA-N
MW396.56 g/mol
LogP3.51
Rot. Bonds5

About N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 22429402) has the molecular formula C17H20N2O3S3 and a molecular weight of 396.56 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID22429402
Molecular FormulaC17H20N2O3S3
Molecular Weight396.56 g/mol
Exact Mass396.06
IUPAC NameN-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCSc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1
InChIInChI=1S/C17H20N2O3S3/c1-23-15-7-2-6-14(11-15)18-17(20)13-5-3-9-19(12-13)25(21,22)16-8-4-10-24-16/h2,4,6-8,10-11,13H,3,5,9,12H2,1H3,(H,18,20)
InChIKeyLZCBNRHAAUTAMM-UHFFFAOYSA-N
XLogP3.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Piperidine-1,3-dicarboxylic acid 1-phenylamide 3-[(thiophen-2-ylmethyl)-amide]
CID 3222834
N-[3-(dimethylsulfamoyl)phenyl]-2-thiophen-3-ylacetamide
CID 4805705
N-(4-fluorophenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2053794
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3236695
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3238380
N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
N~1~-(2-fluorophenyl)-N~3~-(thien-2-ylsulfonyl)-beta-alaninamide
CID 3244623
N-[4-(dipropylsulfamoyl)phenyl]-2-thiophen-2-ylacetamide
CID 2931351
N-(4-Fluorophenyl)-4-(piperidine-1-sulfonyl)thiophene-2-carboxamide
CID 1252955
N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}-2-thiophenecarboxamide
CID 1094288
N-(4-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 1305863
N-(2-fluorophenyl)-4-(1-piperidinylsulfonyl)-2-thiophenecarboxamide
CID 1310286

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 22429402) is N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CSc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is LZCBNRHAAUTAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S3/c1-23-15-7-2-6-14(11-15)18-17(20)13-5-3-9-19(12-13)25(21,22)16-8-4-10-24-16/h2,4,6-8,10-11,13H,3,5,9,12H2,1H3,(H,18,20).
What are the key properties of N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 22429402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).