2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide

C14H14F2N2OS — CID 63990643

IUPAC2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
SMILESCc1ccsc1C(C)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C14H14F2N2OS/c1-7-3-4-20-13(7)8(2)18-12-5-9(14(17)19)10(15)6-11(12)16/h3-6,8,18H,1-2H3,(H2,17,19)
InChIKeyQHDUPSARPWFMAO-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.61
Rot. Bonds4

About 2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide

2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide (PubChem CID 63990643) has the molecular formula C14H14F2N2OS and a molecular weight of 296.34 g/mol. Its IUPAC name is 2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
PubChem CID63990643
Molecular FormulaC14H14F2N2OS
Molecular Weight296.34 g/mol
Exact Mass296.08
IUPAC Name2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
SMILESCc1ccsc1C(C)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C14H14F2N2OS/c1-7-3-4-20-13(7)8(2)18-12-5-9(14(17)19)10(15)6-11(12)16/h3-6,8,18H,1-2H3,(H2,17,19)
InChIKeyQHDUPSARPWFMAO-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzoic acid
CID 63993254
5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-2,4-difluorobenzamide
CID 63751916
4-bromo-2,5-difluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 107609537
2,4-difluoro-5-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43673790
4-[1-(3-methylthiophen-2-yl)ethylamino]benzamide
CID 63991012
2,4-difluoro-5-[1-(3-hydroxyphenyl)ethylamino]benzamide
CID 43673811
5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993598
2,3,4-trifluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993191
2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide
CID 43673793
methyl 2-[1-(3-methylthiophen-2-yl)ethylamino]benzoate
CID 63991837
5-[(3-aminothiophen-2-yl)methylamino]-2,4-difluorobenzamide
CID 66387532
2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 82818791

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide?
The IUPAC name of 2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide (CID 63990643) is 2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide is Cc1ccsc1C(C)Nc1cc(C(N)=O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide?
The InChIKey is QHDUPSARPWFMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2OS/c1-7-3-4-20-13(7)8(2)18-12-5-9(14(17)19)10(15)6-11(12)16/h3-6,8,18H,1-2H3,(H2,17,19).
What are the key properties of 2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide?
2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide has a molecular weight of 296.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[1-(3-methylthiophen-2-yl)ethylamino]benzamide is sourced from PubChem (CID 63990643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).