N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide

C18H22N2O3S2 — CID 45208754

IUPACN-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(CNC(=O)c3cccs3)C2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-14-6-8-16(9-7-14)25(22,23)20-10-2-4-15(13-20)12-19-18(21)17-5-3-11-24-17/h3,5-9,11,15H,2,4,10,12-13H2,1H3,(H,19,21)
InChIKeyMNCHAXPWTZASAV-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.89
Rot. Bonds5

About N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide

N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide (PubChem CID 45208754) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide
PubChem CID45208754
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(CNC(=O)c3cccs3)C2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-14-6-8-16(9-7-14)25(22,23)20-10-2-4-15(13-20)12-19-18(21)17-5-3-11-24-17/h3,5-9,11,15H,2,4,10,12-13H2,1H3,(H,19,21)
InChIKeyMNCHAXPWTZASAV-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide (CID 45208754) is N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(CNC(=O)c3cccs3)C2)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide?
The InChIKey is MNCHAXPWTZASAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-14-6-8-16(9-7-14)25(22,23)20-10-2-4-15(13-20)12-19-18(21)17-5-3-11-24-17/h3,5-9,11,15H,2,4,10,12-13H2,1H3,(H,19,21).
What are the key properties of N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide?
N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 45208754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).