2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid

C18H20N2O5S2 — CID 6503539

IUPAC2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid
SMILESCC1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3C(=O)O)c2)C1
InChIInChI=1S/C18H20N2O5S2/c1-12-5-4-8-20(10-12)27(24,25)13-9-16(26-11-13)17(21)19-15-7-3-2-6-14(15)18(22)23/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,19,21)(H,22,23)
InChIKeyKNYREEMYMRLZMR-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.12
Rot. Bonds5

About 2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid

2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid (PubChem CID 6503539) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid
PubChem CID6503539
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC Name2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid
SMILESCC1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3C(=O)O)c2)C1
InChIInChI=1S/C18H20N2O5S2/c1-12-5-4-8-20(10-12)27(24,25)13-9-16(26-11-13)17(21)19-15-7-3-2-6-14(15)18(22)23/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,19,21)(H,22,23)
InChIKeyKNYREEMYMRLZMR-UHFFFAOYSA-N
XLogP3.12
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503536
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503563
N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503538
2-[[4-(propan-2-ylsulfamoyl)thiophene-2-carbonyl]amino]benzoic acid
CID 6504079
4-(4-methylpiperidin-1-yl)sulfonyl-N-pyridin-2-ylthiophene-2-carboxamide
CID 6503383
2-chloro-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311381
4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503399
N-(2-ethylphenyl)-1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrole-2-carboxamide
CID 53087291
4-(3-acetamidopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 61068084
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 62946764
4-(3-aminopiperidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 55248008

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid?
The IUPAC name of 2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid (CID 6503539) is 2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid is CC1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3C(=O)O)c2)C1.
What is the InChIKey of 2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid?
The InChIKey is KNYREEMYMRLZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S2/c1-12-5-4-8-20(10-12)27(24,25)13-9-16(26-11-13)17(21)19-15-7-3-2-6-14(15)18(22)23/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid?
2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid has a molecular weight of 408.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 6503539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).