2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid

C17H18N2O5S2 — CID 1251743

IUPAC2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C17H18N2O5S2/c20-16(18-14-7-3-2-6-13(14)17(21)22)15-10-12(11-25-15)26(23,24)19-8-4-1-5-9-19/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,18,20)(H,21,22)
InChIKeyRIJQWFXCWBENLP-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.87
Rot. Bonds5

About 2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid

2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid (PubChem CID 1251743) has the molecular formula C17H18N2O5S2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
PubChem CID1251743
Molecular FormulaC17H18N2O5S2
Molecular Weight394.47 g/mol
Exact Mass394.07
IUPAC Name2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C17H18N2O5S2/c20-16(18-14-7-3-2-6-13(14)17(21)22)15-10-12(11-25-15)26(23,24)19-8-4-1-5-9-19/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,18,20)(H,21,22)
InChIKeyRIJQWFXCWBENLP-UHFFFAOYSA-N
XLogP2.87
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid (CID 1251743) is 2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1cc(S(=O)(=O)N2CCCCC2)cs1.
What is the InChIKey of 2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid?
The InChIKey is RIJQWFXCWBENLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S2/c20-16(18-14-7-3-2-6-13(14)17(21)22)15-10-12(11-25-15)26(23,24)19-8-4-1-5-9-19/h2-3,6-7,10-11H,1,4-5,8-9H2,(H,18,20)(H,21,22).
What are the key properties of 2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid?
2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid has a molecular weight of 394.47 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 1251743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).