3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide

C19H24N2O3S3 — CID 46819848

IUPAC3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H24N2O3S3/c22-19(20-9-13-25-15-17-7-5-12-26-17)16-6-4-8-18(14-16)27(23,24)21-10-2-1-3-11-21/h4-8,12,14H,1-3,9-11,13,15H2,(H,20,22)
InChIKeyWGZAQDNJDKXUMH-UHFFFAOYSA-N
MW424.61 g/mol
LogP3.59
Rot. Bonds8

About 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide

3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide (PubChem CID 46819848) has the molecular formula C19H24N2O3S3 and a molecular weight of 424.61 g/mol. Its IUPAC name is 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
PubChem CID46819848
Molecular FormulaC19H24N2O3S3
Molecular Weight424.61 g/mol
Exact Mass424.09
IUPAC Name3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
SMILESO=C(NCCSCc1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H24N2O3S3/c22-19(20-9-13-25-15-17-7-5-12-26-17)16-6-4-8-18(14-16)27(23,24)21-10-2-1-3-11-21/h4-8,12,14H,1-3,9-11,13,15H2,(H,20,22)
InChIKeyWGZAQDNJDKXUMH-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.61
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
CID 24566502
3-morpholin-4-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770200
N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 119508393
N-(2-aminoethyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119382891
N-[4-(4-methylpiperazin-1-yl)butyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55656722
N-[2-(4-nitroanilino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 41262654
N-[2-(3-hydroxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 52792200
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
N-(3-aminobutyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119498558
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105575
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(thiophen-2-ylmethyl)benzamide
CID 35864868
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
The IUPAC name of 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide (CID 46819848) is 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
The canonical SMILES for 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide is O=C(NCCSCc1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
The InChIKey is WGZAQDNJDKXUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S3/c22-19(20-9-13-25-15-17-7-5-12-26-17)16-6-4-8-18(14-16)27(23,24)21-10-2-1-3-11-21/h4-8,12,14H,1-3,9-11,13,15H2,(H,20,22).
What are the key properties of 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide?
3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide has a molecular weight of 424.61 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 46819848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).