2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide

C17H19FN2OS — CID 27119337

IUPAC2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)C1CC1)NCc1cccs1
InChIInChI=1S/C17H19FN2OS/c18-14-5-3-13(4-6-14)11-20(15-7-8-15)12-17(21)19-10-16-2-1-9-22-16/h1-6,9,15H,7-8,10-12H2,(H,19,21)
InChIKeyJGIBDSQMJZMWLL-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.17
Rot. Bonds7

About 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 27119337) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID27119337
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC Name2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)C1CC1)NCc1cccs1
InChIInChI=1S/C17H19FN2OS/c18-14-5-3-13(4-6-14)11-20(15-7-8-15)12-17(21)19-10-16-2-1-9-22-16/h1-6,9,15H,7-8,10-12H2,(H,19,21)
InChIKeyJGIBDSQMJZMWLL-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

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CID 10323427
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CID 4876213
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CID 652619
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CID 1246492
CID 1246492
CID 2146492
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CID 2526390
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CID 2569251
CID 2569251

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 27119337) is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN(Cc1ccc(F)cc1)C1CC1)NCc1cccs1.
What is the InChIKey of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JGIBDSQMJZMWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c18-14-5-3-13(4-6-14)11-20(15-7-8-15)12-17(21)19-10-16-2-1-9-22-16/h1-6,9,15H,7-8,10-12H2,(H,19,21).
What are the key properties of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[cyclopropyl-[(4-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-[(4-fluorophenyl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 27119337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).