1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide

C22H29N3O5S2 — CID 24645770

IUPAC1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NCc2ccc(S(N)(=O)=O)s2)C1c1ccccc1OC
InChIInChI=1S/C22H29N3O5S2/c1-3-4-13-25-19(26)11-10-17(21(25)16-7-5-6-8-18(16)30-2)22(27)24-14-15-9-12-20(31-15)32(23,28)29/h5-9,12,17,21H,3-4,10-11,13-14H2,1-2H3,(H,24,27)(H2,23,28,29)
InChIKeyOHZRGMSXWYOEHB-UHFFFAOYSA-N
MW479.62 g/mol
LogP2.80
Rot. Bonds9

About 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide

1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 24645770) has the molecular formula C22H29N3O5S2 and a molecular weight of 479.62 g/mol. Its IUPAC name is 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide
PubChem CID24645770
Molecular FormulaC22H29N3O5S2
Molecular Weight479.62 g/mol
Exact Mass479.15
IUPAC Name1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide
SMILESCCCCN1C(=O)CCC(C(=O)NCc2ccc(S(N)(=O)=O)s2)C1c1ccccc1OC
InChIInChI=1S/C22H29N3O5S2/c1-3-4-13-25-19(26)11-10-17(21(25)16-7-5-6-8-18(16)30-2)22(27)24-14-15-9-12-20(31-15)32(23,28)29/h5-9,12,17,21H,3-4,10-11,13-14H2,1-2H3,(H,24,27)(H2,23,28,29)
InChIKeyOHZRGMSXWYOEHB-UHFFFAOYSA-N
XLogP2.80
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide (CID 24645770) is 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide is CCCCN1C(=O)CCC(C(=O)NCc2ccc(S(N)(=O)=O)s2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is OHZRGMSXWYOEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S2/c1-3-4-13-25-19(26)11-10-17(21(25)16-7-5-6-8-18(16)30-2)22(27)24-14-15-9-12-20(31-15)32(23,28)29/h5-9,12,17,21H,3-4,10-11,13-14H2,1-2H3,(H,24,27)(H2,23,28,29).
What are the key properties of 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide?
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[(5-sulfamoylthiophen-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24645770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).