2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide

C20H15N5O3S — CID 53172422

IUPAC2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)c2cc(-c3ccco3)nn2c2ncccc21)NCc1cccs1
InChIInChI=1S/C20H15N5O3S/c26-18(22-11-13-4-3-9-29-13)12-24-15-5-1-7-21-19(15)25-16(20(24)27)10-14(23-25)17-6-2-8-28-17/h1-10H,11-12H2,(H,22,26)
InChIKeyQVAIBBJMROSASW-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.68
Rot. Bonds5

About 2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 53172422) has the molecular formula C20H15N5O3S and a molecular weight of 405.44 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID53172422
Molecular FormulaC20H15N5O3S
Molecular Weight405.44 g/mol
Exact Mass405.09
IUPAC Name2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)c2cc(-c3ccco3)nn2c2ncccc21)NCc1cccs1
InChIInChI=1S/C20H15N5O3S/c26-18(22-11-13-4-3-9-29-13)12-24-15-5-1-7-21-19(15)25-16(20(24)27)10-14(23-25)17-6-2-8-28-17/h1-10H,11-12H2,(H,22,26)
InChIKeyQVAIBBJMROSASW-UHFFFAOYSA-N
XLogP2.68
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53172416
N-[(4-methoxyphenyl)methyl]-2-(7-oxo-4-thiophen-2-yl-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53172407
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 121090531
N-[(2-chlorophenyl)methyl]-2-(4-methyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53172386
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53172397
2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53172395
2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53172394
2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2-phenylethyl)acetamide
CID 53172403
2-[2-oxo-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-1-yl]-N-propan-2-ylacetamide
CID 95807341
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001024
N-[(2-ethoxyphenyl)methyl]-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513287
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513266

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 53172422) is 2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1c(=O)c2cc(-c3ccco3)nn2c2ncccc21)NCc1cccs1.
What is the InChIKey of 2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QVAIBBJMROSASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3S/c26-18(22-11-13-4-3-9-29-13)12-24-15-5-1-7-21-19(15)25-16(20(24)27)10-14(23-25)17-6-2-8-28-17/h1-10H,11-12H2,(H,22,26).
What are the key properties of 2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 405.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 53172422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).