3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide

C16H18FN3O2S — CID 46524670

IUPAC3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)NCCc1cccc(F)c1)c1cccs1
InChIInChI=1S/C16H18FN3O2S/c17-12-4-1-3-11(9-12)6-7-19-15(21)10-13(20-16(18)22)14-5-2-8-23-14/h1-5,8-9,13H,6-7,10H2,(H,19,21)(H3,18,20,22)
InChIKeyGOQCBUWAGKNGIP-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.35
Rot. Bonds7

About 3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide

3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 46524670) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID46524670
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide
SMILESNC(=O)NC(CC(=O)NCCc1cccc(F)c1)c1cccs1
InChIInChI=1S/C16H18FN3O2S/c17-12-4-1-3-11(9-12)6-7-19-15(21)10-13(20-16(18)22)14-5-2-8-23-14/h1-5,8-9,13H,6-7,10H2,(H,19,21)(H3,18,20,22)
InChIKeyGOQCBUWAGKNGIP-UHFFFAOYSA-N
XLogP2.35
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 808451
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
5-Acetyl-6-phenyl-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 2946817
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 8013080
N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 697434
2-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 896320
3-cyclohexyl-N-(2-thienylmethyl)propanamide
CID 896861
3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 1508403
N-(2-fluorobenzyl)-2-(2-thienyl)acetamide
CID 1246492
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 2608928

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide (CID 46524670) is 3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide is NC(=O)NC(CC(=O)NCCc1cccc(F)c1)c1cccs1.
What is the InChIKey of 3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is GOQCBUWAGKNGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c17-12-4-1-3-11(9-12)6-7-19-15(21)10-13(20-16(18)22)14-5-2-8-23-14/h1-5,8-9,13H,6-7,10H2,(H,19,21)(H3,18,20,22).
What are the key properties of 3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide?
3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 335.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-(3-fluorophenyl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 46524670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).