2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide

C16H16F2N2OS — CID 34408527

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(CN(Cc1cccs1)C1CC1)Nc1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2OS/c17-11-3-6-14(18)15(8-11)19-16(21)10-20(12-4-5-12)9-13-2-1-7-22-13/h1-3,6-8,12H,4-5,9-10H2,(H,19,21)
InChIKeyZVHZETNYGZRJNJ-UHFFFAOYSA-N
MW322.38 g/mol
LogP3.63
Rot. Bonds6

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide (PubChem CID 34408527) has the molecular formula C16H16F2N2OS and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide
PubChem CID34408527
Molecular FormulaC16H16F2N2OS
Molecular Weight322.38 g/mol
Exact Mass322.10
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide
SMILESO=C(CN(Cc1cccs1)C1CC1)Nc1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2OS/c17-11-3-6-14(18)15(8-11)19-16(21)10-20(12-4-5-12)9-13-2-1-7-22-13/h1-3,6-8,12H,4-5,9-10H2,(H,19,21)
InChIKeyZVHZETNYGZRJNJ-UHFFFAOYSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 62030677
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,5-difluorophenyl)acetamide
CID 34717732
4-[[cyclopropyl-[2-(2,5-difluoroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 46568070
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1-(4-fluorophenyl)ethanone
CID 62030102
2-[cyclobutyl(2-hydroxyethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 102676904
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 26651079
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529533
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 16577767
N-(5-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetamide
CID 9055561
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42951116
N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 61439173

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide (CID 34408527) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide is O=C(CN(Cc1cccs1)C1CC1)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is ZVHZETNYGZRJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2OS/c17-11-3-6-14(18)15(8-11)19-16(21)10-20(12-4-5-12)9-13-2-1-7-22-13/h1-3,6-8,12H,4-5,9-10H2,(H,19,21).
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 322.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 34408527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).