N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

C17H19ClN2O4S2 — CID 6503563

IUPACN-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2csc(C(=O)Nc3cc(Cl)ccc3O)c2)C1
InChIInChI=1S/C17H19ClN2O4S2/c1-11-3-2-6-20(9-11)26(23,24)13-8-16(25-10-13)17(22)19-14-7-12(18)4-5-15(14)21/h4-5,7-8,10-11,21H,2-3,6,9H2,1H3,(H,19,22)
InChIKeyIQECMJDTXTXLBN-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.78
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide

N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (PubChem CID 6503563) has the molecular formula C17H19ClN2O4S2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
PubChem CID6503563
Molecular FormulaC17H19ClN2O4S2
Molecular Weight414.94 g/mol
Exact Mass414.05
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCC1CCCN(S(=O)(=O)c2csc(C(=O)Nc3cc(Cl)ccc3O)c2)C1
InChIInChI=1S/C17H19ClN2O4S2/c1-11-3-2-6-20(9-11)26(23,24)13-8-16(25-10-13)17(22)19-14-7-12(18)4-5-15(14)21/h4-5,7-8,10-11,21H,2-3,6,9H2,1H3,(H,19,22)
InChIKeyIQECMJDTXTXLBN-UHFFFAOYSA-N
XLogP3.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide 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-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503538
N-(2-methylphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503536
2-[[4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid
CID 6503539
N-(2-hydroxy-5-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
CID 6503499
N-(4-chlorophenyl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503298
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503399
N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503249
4-chloro-2-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 22748532
5-(5-chloro-2-hydroxyphenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrazolidine-3-carboxamide
CID 75653285
1,3-benzodioxol-5-yl 4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxylate
CID 6503568
(2R)-N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 8795140

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide (CID 6503563) is N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is CC1CCCN(S(=O)(=O)c2csc(C(=O)Nc3cc(Cl)ccc3O)c2)C1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
The InChIKey is IQECMJDTXTXLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S2/c1-11-3-2-6-20(9-11)26(23,24)13-8-16(25-10-13)17(22)19-14-7-12(18)4-5-15(14)21/h4-5,7-8,10-11,21H,2-3,6,9H2,1H3,(H,19,22).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).