3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide

C17H10Cl3FN2OS — CID 26193106

IUPAC3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H10Cl3FN2OS/c18-11-8-22-16(14(20)13(11)19)17(24)23-15(12-2-1-7-25-12)9-3-5-10(21)6-4-9/h1-8,15H,(H,23,24)/t15-/m0/s1
InChIKeyIPUFKAUDJQEINZ-HNNXBMFYSA-N
MW415.70 g/mol
LogP5.76
Rot. Bonds4

About 3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide

3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide (PubChem CID 26193106) has the molecular formula C17H10Cl3FN2OS and a molecular weight of 415.70 g/mol. Its IUPAC name is 3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
PubChem CID26193106
Molecular FormulaC17H10Cl3FN2OS
Molecular Weight415.70 g/mol
Exact Mass413.96
IUPAC Name3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
SMILESO=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ncc(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H10Cl3FN2OS/c18-11-8-22-16(14(20)13(11)19)17(24)23-15(12-2-1-7-25-12)9-3-5-10(21)6-4-9/h1-8,15H,(H,23,24)/t15-/m0/s1
InChIKeyIPUFKAUDJQEINZ-HNNXBMFYSA-N
XLogP5.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.70
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351
3-chloro-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 95932121
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
2,6-dichloro-5-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 51135593
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 46564820
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51207018
5,6-dichloro-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]pyridine-3-carboxamide
CID 8854525
2-chloro-4-fluoro-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354884
2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 94161744
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide?
The IUPAC name of 3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide (CID 26193106) is 3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide?
The canonical SMILES for 3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide is O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ncc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide?
The InChIKey is IPUFKAUDJQEINZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H10Cl3FN2OS/c18-11-8-22-16(14(20)13(11)19)17(24)23-15(12-2-1-7-25-12)9-3-5-10(21)6-4-9/h1-8,15H,(H,23,24)/t15-/m0/s1.
What are the key properties of 3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide?
3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide has a molecular weight of 415.70 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide is sourced from PubChem (CID 26193106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).