N-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C18H22N2O4S2 — CID 7398868

IUPACN-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H22N2O4S2/c1-24-16-5-2-4-14(12-16)13-19-18(21)15-7-9-20(10-8-15)26(22,23)17-6-3-11-25-17/h2-6,11-12,15H,7-10,13H2,1H3,(H,19,21)
InChIKeyFBFRTTZCZUIKAG-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.47
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 7398868) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID7398868
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
InChIInChI=1S/C18H22N2O4S2/c1-24-16-5-2-4-14(12-16)13-19-18(21)15-7-9-20(10-8-15)26(22,23)17-6-3-11-25-17/h2-6,11-12,15H,7-10,13H2,1H3,(H,19,21)
InChIKeyFBFRTTZCZUIKAG-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-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 7398868) is N-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is FBFRTTZCZUIKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-24-16-5-2-4-14(12-16)13-19-18(21)15-7-9-20(10-8-15)26(22,23)17-6-3-11-25-17/h2-6,11-12,15H,7-10,13H2,1H3,(H,19,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-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-[(3-methoxyphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 7398868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).