N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide

C16H15F3N2O2S — CID 5035064

IUPACN-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
SMILESO=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)NCc1cccs1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)11-3-1-4-12(9-11)21-15(23)7-6-14(22)20-10-13-5-2-8-24-13/h1-5,8-9H,6-7,10H2,(H,20,22)(H,21,23)
InChIKeyZBSFITHQQCJEJP-UHFFFAOYSA-N
MW356.37 g/mol
LogP3.80
Rot. Bonds6

About N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide

N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide (PubChem CID 5035064) has the molecular formula C16H15F3N2O2S and a molecular weight of 356.37 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
PubChem CID5035064
Molecular FormulaC16H15F3N2O2S
Molecular Weight356.37 g/mol
Exact Mass356.08
IUPAC NameN-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide
SMILESO=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)NCc1cccs1
InChIInChI=1S/C16H15F3N2O2S/c17-16(18,19)11-3-1-4-12(9-11)21-15(23)7-6-14(22)20-10-13-5-2-8-24-13/h1-5,8-9H,6-7,10H2,(H,20,22)(H,21,23)
InChIKeyZBSFITHQQCJEJP-UHFFFAOYSA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8720454
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N'-[3,5-bis(trifluoromethyl)phenyl]-N-(thiophen-2-ylmethyl)oxamide
CID 139833843
3-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3619896
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4286052
4-oxo-4-thiophen-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 18168670
2-[ethyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 8906157
2-thiophen-2-yl-N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048973
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2110784
CID 89006052
CID 89006052
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide (CID 5035064) is N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide is O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide?
The InChIKey is ZBSFITHQQCJEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2S/c17-16(18,19)11-3-1-4-12(9-11)21-15(23)7-6-14(22)20-10-13-5-2-8-24-13/h1-5,8-9H,6-7,10H2,(H,20,22)(H,21,23).
What are the key properties of N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide?
N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide has a molecular weight of 356.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-N'-[3-(trifluoromethyl)phenyl]butanediamide is sourced from PubChem (CID 5035064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).