[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

C16H14N4O5S — CID 7909146

IUPAC[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESO=C(COC(=O)CCNC(=O)c1ccco1)Nc1cccc2nsnc12
InChIInChI=1S/C16H14N4O5S/c21-13(18-10-3-1-4-11-15(10)20-26-19-11)9-25-14(22)6-7-17-16(23)12-5-2-8-24-12/h1-5,8H,6-7,9H2,(H,17,23)(H,18,21)
InChIKeyVJWONQVPHFLKEH-UHFFFAOYSA-N
MW374.38 g/mol
LogP1.59
Rot. Bonds7

About [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate

[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (PubChem CID 7909146) has the molecular formula C16H14N4O5S and a molecular weight of 374.38 g/mol. Its IUPAC name is [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
PubChem CID7909146
Molecular FormulaC16H14N4O5S
Molecular Weight374.38 g/mol
Exact Mass374.07
IUPAC Name[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
SMILESO=C(COC(=O)CCNC(=O)c1ccco1)Nc1cccc2nsnc12
InChIInChI=1S/C16H14N4O5S/c21-13(18-10-3-1-4-11-15(10)20-26-19-11)9-25-14(22)6-7-17-16(23)12-5-2-8-24-12/h1-5,8H,6-7,9H2,(H,17,23)(H,18,21)
InChIKeyVJWONQVPHFLKEH-UHFFFAOYSA-N
XLogP1.59
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-phenylacetate
CID 7874873
N-(2,1,3-benzothiadiazol-4-ylcarbamothioyl)furan-2-carboxamide
CID 739009
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 31403994
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368689
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7891011
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7908965
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 7909175
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate
CID 4845389
[2-(2-fluoroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880328
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846830
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750717
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7871890

Frequently Asked Questions

What is the IUPAC name of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate (CID 7909146) is [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is O=C(COC(=O)CCNC(=O)c1ccco1)Nc1cccc2nsnc12.
What is the InChIKey of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
The InChIKey is VJWONQVPHFLKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O5S/c21-13(18-10-3-1-4-11-15(10)20-26-19-11)9-25-14(22)6-7-17-16(23)12-5-2-8-24-12/h1-5,8H,6-7,9H2,(H,17,23)(H,18,21).
What are the key properties of [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate?
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate has a molecular weight of 374.38 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 7909146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).