4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide

C14H13F3N2OS — CID 62165965

IUPAC4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESCNc1ccc(C(=O)NCc2cccs2)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2OS/c1-18-12-5-4-9(7-11(12)14(15,16)17)13(20)19-8-10-3-2-6-21-10/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyTYBCFDZQMNICJV-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.74
Rot. Bonds4

About 4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide

4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide (PubChem CID 62165965) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
PubChem CID62165965
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
SMILESCNc1ccc(C(=O)NCc2cccs2)cc1C(F)(F)F
InChIInChI=1S/C14H13F3N2OS/c1-18-12-5-4-9(7-11(12)14(15,16)17)13(20)19-8-10-3-2-6-21-10/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyTYBCFDZQMNICJV-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
CID 62171664
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3749251
2-(methylamino)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 55042664
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide
CID 61093192
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
4-(methylamino)-N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)benzamide
CID 63964007
4-(methylamino)-N-(2-propan-2-yloxyethyl)-3-(trifluoromethyl)benzamide
CID 104765588
2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 22588071
4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 166428252
3-ethoxy-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 39045573

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide (CID 62165965) is 4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide is CNc1ccc(C(=O)NCc2cccs2)cc1C(F)(F)F.
What is the InChIKey of 4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is TYBCFDZQMNICJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-18-12-5-4-9(7-11(12)14(15,16)17)13(20)19-8-10-3-2-6-21-10/h2-7,18H,8H2,1H3,(H,19,20).
What are the key properties of 4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide?
4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 314.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62165965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).