2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C18H22FN3O2S — CID 55838696

IUPAC2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCCN(CC(=O)NC(=O)NCc1cccs1)C(C)c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2S/c1-3-22(13(2)14-6-8-15(19)9-7-14)12-17(23)21-18(24)20-11-16-5-4-10-25-16/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23,24)
InChIKeyLHXMPMJJEXQJRL-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.30
Rot. Bonds7

About 2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 55838696) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID55838696
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC Name2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESCCN(CC(=O)NC(=O)NCc1cccs1)C(C)c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O2S/c1-3-22(13(2)14-6-8-15(19)9-7-14)12-17(23)21-18(24)20-11-16-5-4-10-25-16/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23,24)
InChIKeyLHXMPMJJEXQJRL-UHFFFAOYSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylamino)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 34600944
N-[2-(diethylamino)propyl]-2-(4-fluorophenyl)-3-thiophen-2-ylpropanamide
CID 110301477
3-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-propan-2-ylamino]propanoic acid
CID 60832973
1-[(4-fluorophenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 3700183
2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 26387450
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 39044875
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 56539806
4-oxo-4-(thiophen-2-ylmethylcarbamoylamino)butanoic acid
CID 43363851
2-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 115286679
2-(2-methylfuran-3-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 122136491
1-(3-methylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 110706923
N-(2,6-dichlorophenyl)-2-[methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]amino]acetamide
CID 55432120

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 55838696) is 2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is CCN(CC(=O)NC(=O)NCc1cccs1)C(C)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is LHXMPMJJEXQJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c1-3-22(13(2)14-6-8-15(19)9-7-14)12-17(23)21-18(24)20-11-16-5-4-10-25-16/h4-10,13H,3,11-12H2,1-2H3,(H2,20,21,23,24).
What are the key properties of 2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 55838696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).