N-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

C17H20N2O3S2 — CID 1253185

IUPACN-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C17H20N2O3S2/c1-13-7-3-4-8-15(13)18-17(20)16-11-14(12-23-16)24(21,22)19-9-5-2-6-10-19/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,18,20)
InChIKeyVNSGZUFULREXOB-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.48
Rot. Bonds4

About N-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 1253185) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID1253185
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C17H20N2O3S2/c1-13-7-3-4-8-15(13)18-17(20)16-11-14(12-23-16)24(21,22)19-9-5-2-6-10-19/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,18,20)
InChIKeyVNSGZUFULREXOB-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 1253185) is N-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1.
What is the InChIKey of N-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is VNSGZUFULREXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-7-3-4-8-15(13)18-17(20)16-11-14(12-23-16)24(21,22)19-9-5-2-6-10-19/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,18,20).
What are the key properties of N-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 1253185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).