N-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide

C19H20F2N2O3S — CID 25489037

IUPACN-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
SMILESCCN(C(=O)c1cccc(F)c1F)[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1O
InChIInChI=1S/C19H20F2N2O3S/c1-2-23(18(25)12-5-3-6-13(20)17(12)21)14-8-9-22(11-15(14)24)19(26)16-7-4-10-27-16/h3-7,10,14-15,24H,2,8-9,11H2,1H3/t14-,15-/m1/s1
InChIKeyIZNDPINYLMPWIR-HUUCEWRRSA-N
MW394.44 g/mol
LogP2.76
Rot. Bonds4

About N-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide

N-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 25489037) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is N-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID25489037
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC NameN-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
SMILESCCN(C(=O)c1cccc(F)c1F)[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1O
InChIInChI=1S/C19H20F2N2O3S/c1-2-23(18(25)12-5-3-6-13(20)17(12)21)14-8-9-22(11-15(14)24)19(26)16-7-4-10-27-16/h3-7,10,14-15,24H,2,8-9,11H2,1H3/t14-,15-/m1/s1
InChIKeyIZNDPINYLMPWIR-HUUCEWRRSA-N
XLogP2.76
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of N-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide (CID 25489037) is N-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide is CCN(C(=O)c1cccc(F)c1F)[C@@H]1CCN(C(=O)c2cccs2)C[C@H]1O.
What is the InChIKey of N-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is IZNDPINYLMPWIR-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-2-23(18(25)12-5-3-6-13(20)17(12)21)14-8-9-22(11-15(14)24)19(26)16-7-4-10-27-16/h3-7,10,14-15,24H,2,8-9,11H2,1H3/t14-,15-/m1/s1.
What are the key properties of N-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide?
N-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 394.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-difluoro-N-[(3R,4R)-3-hydroxy-1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 25489037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).