4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide

C15H16F2N2OS — CID 63185485

IUPAC4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide
SMILESCCNc1c(F)cc(C(=O)NC(C)c2cccs2)cc1F
InChIInChI=1S/C15H16F2N2OS/c1-3-18-14-11(16)7-10(8-12(14)17)15(20)19-9(2)13-5-4-6-21-13/h4-9,18H,3H2,1-2H3,(H,19,20)
InChIKeyIHUWFOVWINZUKT-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.95
Rot. Bonds5

About 4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide

4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 63185485) has the molecular formula C15H16F2N2OS and a molecular weight of 310.37 g/mol. Its IUPAC name is 4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID63185485
Molecular FormulaC15H16F2N2OS
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide
SMILESCCNc1c(F)cc(C(=O)NC(C)c2cccs2)cc1F
InChIInChI=1S/C15H16F2N2OS/c1-3-18-14-11(16)7-10(8-12(14)17)15(20)19-9(2)13-5-4-6-21-13/h4-9,18H,3H2,1-2H3,(H,19,20)
InChIKeyIHUWFOVWINZUKT-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 63186296
4-amino-3-fluoro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81408321
4-(ethylamino)-3,5-difluoro-N-(thiophen-2-ylmethyl)benzamide
CID 63187631
3-fluoro-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 7742328
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 42907554
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
3-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]benzoic acid
CID 51704015
4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 43399300
4-hydrazinyl-N-(1-thiophen-2-ylethyl)benzamide
CID 62241392
4-(ethylamino)-3,5-difluoro-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 63185971
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide (CID 63185485) is 4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide is CCNc1c(F)cc(C(=O)NC(C)c2cccs2)cc1F.
What is the InChIKey of 4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is IHUWFOVWINZUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2OS/c1-3-18-14-11(16)7-10(8-12(14)17)15(20)19-9(2)13-5-4-6-21-13/h4-9,18H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide?
4-(ethylamino)-3,5-difluoro-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 310.37 g/mol, XLogP of 3.95, 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-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 63185485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).