4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide

C14H14F2N2OS — CID 63187631

IUPAC4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESCCNc1c(F)cc(C(=O)NCc2cccs2)cc1F
InChIInChI=1S/C14H14F2N2OS/c1-2-17-13-11(15)6-9(7-12(13)16)14(19)18-8-10-4-3-5-20-10/h3-7,17H,2,8H2,1H3,(H,18,19)
InChIKeyWSLNZSOGYHJONI-UHFFFAOYSA-N
MW296.34 g/mol
LogP3.39
Rot. Bonds5

About 4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide

4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 63187631) has the molecular formula C14H14F2N2OS and a molecular weight of 296.34 g/mol. Its IUPAC name is 4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
PubChem CID63187631
Molecular FormulaC14H14F2N2OS
Molecular Weight296.34 g/mol
Exact Mass296.08
IUPAC Name4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
SMILESCCNc1c(F)cc(C(=O)NCc2cccs2)cc1F
InChIInChI=1S/C14H14F2N2OS/c1-2-17-13-11(15)6-9(7-12(13)16)14(19)18-8-10-4-3-5-20-10/h3-7,17H,2,8H2,1H3,(H,18,19)
InChIKeyWSLNZSOGYHJONI-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 63185485
2,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 71822121
4-fluoro-3-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55597318
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 22588071
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573
4-(ethylamino)-3,5-difluoro-N',N'-dimethylbenzohydrazide
CID 83025049
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide (CID 63187631) is 4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide is CCNc1c(F)cc(C(=O)NCc2cccs2)cc1F.
What is the InChIKey of 4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is WSLNZSOGYHJONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2OS/c1-2-17-13-11(15)6-9(7-12(13)16)14(19)18-8-10-4-3-5-20-10/h3-7,17H,2,8H2,1H3,(H,18,19).
What are the key properties of 4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide?
4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 296.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 63187631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).