N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide

C15H16FN3O2S — CID 134000907

IUPACN-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCCc1cccs1)Nc1cccc(F)c1
InChIInChI=1S/C15H16FN3O2S/c16-11-3-1-4-12(9-11)19-14(20)10-18-15(21)17-7-6-13-5-2-8-22-13/h1-5,8-9H,6-7,10H2,(H,19,20)(H2,17,18,21)
InChIKeyPZRDORJSXZMXKS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.37
Rot. Bonds6

About N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide

N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide (PubChem CID 134000907) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
PubChem CID134000907
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCCc1cccs1)Nc1cccc(F)c1
InChIInChI=1S/C15H16FN3O2S/c16-11-3-1-4-12(9-11)19-14(20)10-18-15(21)17-7-6-13-5-2-8-22-13/h1-5,8-9H,6-7,10H2,(H,19,20)(H2,17,18,21)
InChIKeyPZRDORJSXZMXKS-UHFFFAOYSA-N
XLogP2.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
CID 134000912
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 49335870
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 9044697
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(2-thiophen-2-ylethyl)propanamide
CID 9041710
2-(3,5-difluoroanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 35824098
1-(3-iodophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 3732089
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 8621084
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239
ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634
2-fluoro-5-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 61190854

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide (CID 134000907) is N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide is O=C(CNC(=O)NCCc1cccs1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide?
The InChIKey is PZRDORJSXZMXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-11-3-1-4-12(9-11)19-14(20)10-18-15(21)17-7-6-13-5-2-8-22-13/h1-5,8-9H,6-7,10H2,(H,19,20)(H2,17,18,21).
What are the key properties of N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide?
N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide is sourced from PubChem (CID 134000907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).