N-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C18H22N2O4S2 — CID 18104644

IUPACN-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C18H22N2O4S2/c1-24-16-8-3-2-6-14(16)12-19-18(21)15-7-4-10-20(13-15)26(22,23)17-9-5-11-25-17/h2-3,5-6,8-9,11,15H,4,7,10,12-13H2,1H3,(H,19,21)
InChIKeyDPNXGBFHSBMKGC-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.47
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 18104644) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID18104644
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1
InChIInChI=1S/C18H22N2O4S2/c1-24-16-8-3-2-6-14(16)12-19-18(21)15-7-4-10-20(13-15)26(22,23)17-9-5-11-25-17/h2-3,5-6,8-9,11,15H,4,7,10,12-13H2,1H3,(H,19,21)
InChIKeyDPNXGBFHSBMKGC-UHFFFAOYSA-N
XLogP2.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 18104644) is N-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is COc1ccccc1CNC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is DPNXGBFHSBMKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-24-16-8-3-2-6-14(16)12-19-18(21)15-7-4-10-20(13-15)26(22,23)17-9-5-11-25-17/h2-3,5-6,8-9,11,15H,4,7,10,12-13H2,1H3,(H,19,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 18104644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).