2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C17H19FN2OS — CID 27106312

IUPAC2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)NCc1cccs1
InChIInChI=1S/C17H19FN2OS/c18-16-6-2-1-4-13(16)11-20(14-7-8-14)12-17(21)19-10-15-5-3-9-22-15/h1-6,9,14H,7-8,10-12H2,(H,19,21)
InChIKeyLFPHLUBSLWQFHQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.17
Rot. Bonds7

About 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 27106312) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID27106312
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1F)C1CC1)NCc1cccs1
InChIInChI=1S/C17H19FN2OS/c18-16-6-2-1-4-13(16)11-20(14-7-8-14)12-17(21)19-10-15-5-3-9-22-15/h1-6,9,14H,7-8,10-12H2,(H,19,21)
InChIKeyLFPHLUBSLWQFHQ-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(thiophen-3-yl)phenyl]ethyl]amino}pentanamide
CID 10150891
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 8013080
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
(S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piperidin-1-yl)ethylamino)-2-(thiophen-3-yl)acetamide
CID 10323427
2-[methyl(thiophen-2-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 4876213
N-Cyclohexyl-2-[cyclopropyl-(2-thiophen-2-yl-acetyl)-amino]-2-(3-methyl-thiophen-2-yl)-acetamide
CID 652619
N-(2-fluorobenzyl)-2-(2-thienyl)acetamide
CID 1246492
(E)-N-benzyl-3-(thiophen-2-yl)acrylamide
CID 2146492
N-[(4-fluorophenyl)methyl]-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 2526390
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-thiophen-2-ylprop-2-enamide
CID 2569251

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 27106312) is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(Cc1ccccc1F)C1CC1)NCc1cccs1.
What is the InChIKey of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is LFPHLUBSLWQFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c18-16-6-2-1-4-13(16)11-20(14-7-8-14)12-17(21)19-10-15-5-3-9-22-15/h1-6,9,14H,7-8,10-12H2,(H,19,21).
What are the key properties of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 27106312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).