[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate

C17H13F2N3O5S — CID 7770860

IUPAC[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
SMILESN#Cc1ccsc1NC(=O)COC(=O)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C17H13F2N3O5S/c18-17(19)27-12-4-2-1-3-11(12)15(25)21-8-14(24)26-9-13(23)22-16-10(7-20)5-6-28-16/h1-6,17H,8-9H2,(H,21,25)(H,22,23)
InChIKeyGEJZQGNIGLNCHY-UHFFFAOYSA-N
MW409.37 g/mol
LogP2.13
Rot. Bonds8

About [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate

[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate (PubChem CID 7770860) has the molecular formula C17H13F2N3O5S and a molecular weight of 409.37 g/mol. Its IUPAC name is [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate.

Molecular Properties

Compound Name[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
PubChem CID7770860
Molecular FormulaC17H13F2N3O5S
Molecular Weight409.37 g/mol
Exact Mass409.05
IUPAC Name[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
SMILESN#Cc1ccsc1NC(=O)COC(=O)CNC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C17H13F2N3O5S/c18-17(19)27-12-4-2-1-3-11(12)15(25)21-8-14(24)26-9-13(23)22-16-10(7-20)5-6-28-16/h1-6,17H,8-9H2,(H,21,25)(H,22,23)
InChIKeyGEJZQGNIGLNCHY-UHFFFAOYSA-N
XLogP2.13
TPSA117.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate?
The IUPAC name of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate (CID 7770860) is [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate.
What is the SMILES notation for [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate?
The canonical SMILES for [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate is N#Cc1ccsc1NC(=O)COC(=O)CNC(=O)c1ccccc1OC(F)F.
What is the InChIKey of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate?
The InChIKey is GEJZQGNIGLNCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O5S/c18-17(19)27-12-4-2-1-3-11(12)15(25)21-8-14(24)26-9-13(23)22-16-10(7-20)5-6-28-16/h1-6,17H,8-9H2,(H,21,25)(H,22,23).
What are the key properties of [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate?
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate has a molecular weight of 409.37 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate is sourced from PubChem (CID 7770860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).