13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide

C16H15N3O3S — CID 146313415

IUPAC13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide
SMILESC=CCON1C(=O)N2CC1c1sc3ccccc3c1C2C(N)=O
InChIInChI=1S/C16H15N3O3S/c1-2-7-22-19-10-8-18(16(19)21)13(15(17)20)12-9-5-3-4-6-11(9)23-14(10)12/h2-6,10,13H,1,7-8H2,(H2,17,20)
InChIKeyYLLSSALXGSRCGP-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.34
Rot. Bonds4

About 13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide

13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide (PubChem CID 146313415) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide.

Molecular Properties

Compound Name13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide
PubChem CID146313415
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide
SMILESC=CCON1C(=O)N2CC1c1sc3ccccc3c1C2C(N)=O
InChIInChI=1S/C16H15N3O3S/c1-2-7-22-19-10-8-18(16(19)21)13(15(17)20)12-9-5-3-4-6-11(9)23-14(10)12/h2-6,10,13H,1,7-8H2,(H2,17,20)
InChIKeyYLLSSALXGSRCGP-UHFFFAOYSA-N
XLogP2.34
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide 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 13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide?
The IUPAC name of 13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide (CID 146313415) is 13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide.
What is the SMILES notation for 13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide?
The canonical SMILES for 13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide is C=CCON1C(=O)N2CC1c1sc3ccccc3c1C2C(N)=O.
What is the InChIKey of 13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide?
The InChIKey is YLLSSALXGSRCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-2-7-22-19-10-8-18(16(19)21)13(15(17)20)12-9-5-3-4-6-11(9)23-14(10)12/h2-6,10,13H,1,7-8H2,(H2,17,20).
What are the key properties of 13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide?
13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oxo-14-prop-2-enoxy-3-thia-12,14-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2(10),4,6,8-tetraene-11-carboxamide is sourced from PubChem (CID 146313415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).