N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

C16H18N2O4S2 — CID 6503247

IUPACN-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H18N2O4S2/c19-13-6-4-12(5-7-13)17-16(20)15-10-14(11-23-15)24(21,22)18-8-2-1-3-9-18/h4-7,10-11,19H,1-3,8-9H2,(H,17,20)
InChIKeyBPIFEPLXYITGEW-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.88
Rot. Bonds4

About N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 6503247) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID6503247
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCCCC2)cs1
InChIInChI=1S/C16H18N2O4S2/c19-13-6-4-12(5-7-13)17-16(20)15-10-14(11-23-15)24(21,22)18-8-2-1-3-9-18/h4-7,10-11,19H,1-3,8-9H2,(H,17,20)
InChIKeyBPIFEPLXYITGEW-UHFFFAOYSA-N
XLogP2.88
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503298
N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 171989504
4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide
CID 6503439
N-pyridin-3-yl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503342
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
4-piperidin-1-ylsulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503269
N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503249
4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503287
N-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)sulfonylthiophene-2-carboxamide
CID 6503538
N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503315
methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate
CID 27245285
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503288

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 6503247) is N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is O=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCCCC2)cs1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is BPIFEPLXYITGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c19-13-6-4-12(5-7-13)17-16(20)15-10-14(11-23-15)24(21,22)18-8-2-1-3-9-18/h4-7,10-11,19H,1-3,8-9H2,(H,17,20).
What are the key properties of N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 6503247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).