N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

C16H16F2N2O3S2 — CID 46665731

IUPACN-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H16F2N2O3S2/c17-11-4-5-12(18)13(10-11)19-16(21)15-14(6-9-24-15)25(22,23)20-7-2-1-3-8-20/h4-6,9-10H,1-3,7-8H2,(H,19,21)
InChIKeyGGXITNMVIVSOOY-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.45
Rot. Bonds4

About N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide

N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (PubChem CID 46665731) has the molecular formula C16H16F2N2O3S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
PubChem CID46665731
Molecular FormulaC16H16F2N2O3S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC NameN-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1sccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H16F2N2O3S2/c17-11-4-5-12(18)13(10-11)19-16(21)15-14(6-9-24-15)25(22,23)20-7-2-1-3-8-20/h4-6,9-10H,1-3,7-8H2,(H,19,21)
InChIKeyGGXITNMVIVSOOY-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-(2,5-difluorophenyl)benzamide
CID 2711406
3-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 55464525
methyl 4-chloro-3-[(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoate
CID 46808049
N-(2-fluoro-4-methylphenyl)-3-thiomorpholin-4-ylsulfonylthiophene-2-carboxamide
CID 60594204
methyl 2-methyl-3-[(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoate
CID 24684191
3-phenyl-N'-(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)-1H-pyrazole-5-carbohydrazide
CID 55495024
methyl N-[4-[(3-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 55804603
N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 55614476
N-(6-methoxy-3-pyridinyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 46665715
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-[4-(dimethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 55523013

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide (CID 46665731) is N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is O=C(Nc1cc(F)ccc1F)c1sccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
The InChIKey is GGXITNMVIVSOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S2/c17-11-4-5-12(18)13(10-11)19-16(21)15-14(6-9-24-15)25(22,23)20-7-2-1-3-8-20/h4-6,9-10H,1-3,7-8H2,(H,19,21).
What are the key properties of N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide?
N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 46665731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).