N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H22N2O5S2 — CID 7771999

IUPACN-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC
InChIInChI=1S/C18H22N2O5S2/c1-24-15-6-5-14(12-16(15)25-2)19-18(21)13-7-9-20(10-8-13)27(22,23)17-4-3-11-26-17/h3-6,11-13H,7-10H2,1-2H3,(H,19,21)
InChIKeyOJAZALTWLOTMRW-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.80
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 7771999) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID7771999
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC NameN-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC
InChIInChI=1S/C18H22N2O5S2/c1-24-15-6-5-14(12-16(15)25-2)19-18(21)13-7-9-20(10-8-13)27(22,23)17-4-3-11-26-17/h3-6,11-13H,7-10H2,1-2H3,(H,19,21)
InChIKeyOJAZALTWLOTMRW-UHFFFAOYSA-N
XLogP2.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 7771999) is N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is OJAZALTWLOTMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-24-15-6-5-14(12-16(15)25-2)19-18(21)13-7-9-20(10-8-13)27(22,23)17-4-3-11-26-17/h3-6,11-13H,7-10H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 7771999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).