5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide

C14H14F2N2OS — CID 79613665

IUPAC5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
SMILESCC(NCc1cc(C(N)=O)cs1)c1cc(F)ccc1F
InChIInChI=1S/C14H14F2N2OS/c1-8(12-5-10(15)2-3-13(12)16)18-6-11-4-9(7-20-11)14(17)19/h2-5,7-8,18H,6H2,1H3,(H2,17,19)
InChIKeyLDEKHXCWOJOQAF-UHFFFAOYSA-N
MW296.34 g/mol
LogP2.98
Rot. Bonds5

About 5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide

5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide (PubChem CID 79613665) has the molecular formula C14H14F2N2OS and a molecular weight of 296.34 g/mol. Its IUPAC name is 5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
PubChem CID79613665
Molecular FormulaC14H14F2N2OS
Molecular Weight296.34 g/mol
Exact Mass296.08
IUPAC Name5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
SMILESCC(NCc1cc(C(N)=O)cs1)c1cc(F)ccc1F
InChIInChI=1S/C14H14F2N2OS/c1-8(12-5-10(15)2-3-13(12)16)18-6-11-4-9(7-20-11)14(17)19/h2-5,7-8,18H,6H2,1H3,(H2,17,19)
InChIKeyLDEKHXCWOJOQAF-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(2,4-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613995
5-[[1-(2,4-dimethylphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613858
5-[[1-(2-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614684
5-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79611660
5-[[1-(4-bromophenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79613364
5-[[[(1S)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]thiophene-3-carboxamide
CID 125134343
2-[1-(2,5-difluorophenyl)ethylamino]acetamide
CID 16773661
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507
2-[5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophen-2-yl]acetic acid
CID 82886720
5-[(5-methylhexan-2-ylamino)methyl]thiophene-3-carboxamide
CID 79606562
5-[[1-(3-hydroxyphenyl)ethylamino]methyl]thiophene-3-carboxamide
CID 79614281
5-[[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]methyl]thiophene-3-carboxamide
CID 96526651

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide (CID 79613665) is 5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide is CC(NCc1cc(C(N)=O)cs1)c1cc(F)ccc1F.
What is the InChIKey of 5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide?
The InChIKey is LDEKHXCWOJOQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2OS/c1-8(12-5-10(15)2-3-13(12)16)18-6-11-4-9(7-20-11)14(17)19/h2-5,7-8,18H,6H2,1H3,(H2,17,19).
What are the key properties of 5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide?
5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide has a molecular weight of 296.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,5-difluorophenyl)ethylamino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).