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

C17H20N2O3S2 — CID 16829866

IUPACN-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2CNC(=O)c2cccs2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-13-6-8-15(9-7-13)24(21,22)19-10-2-4-14(19)12-18-17(20)16-5-3-11-23-16/h3,5-9,11,14H,2,4,10,12H2,1H3,(H,18,20)
InChIKeyZODFZAIARHSFTL-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.64
Rot. Bonds5

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

N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 16829866) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide
PubChem CID16829866
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2CNC(=O)c2cccs2)cc1
InChIInChI=1S/C17H20N2O3S2/c1-13-6-8-15(9-7-13)24(21,22)19-10-2-4-14(19)12-18-17(20)16-5-3-11-23-16/h3,5-9,11,14H,2,4,10,12H2,1H3,(H,18,20)
InChIKeyZODFZAIARHSFTL-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.64
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)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide (CID 16829866) is N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC2CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is ZODFZAIARHSFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13-6-8-15(9-7-13)24(21,22)19-10-2-4-14(19)12-18-17(20)16-5-3-11-23-16/h3,5-9,11,14H,2,4,10,12H2,1H3,(H,18,20).
What are the key properties of N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide?
N-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.64, 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)sulfonylpyrrolidin-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 16829866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).