N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide

C20H18N4O3S — CID 6498433

IUPACN-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide
SMILESCc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NCc1ccco1)CCS3
InChIInChI=1S/C20H18N4O3S/c1-12-4-5-15-14(9-12)17-18(19(26)23-6-8-28-20(23)22-17)24(15)11-16(25)21-10-13-3-2-7-27-13/h2-5,7,9H,6,8,10-11H2,1H3,(H,21,25)
InChIKeyZBONKSNQIBSMBY-UHFFFAOYSA-N
MW394.46 g/mol
LogP2.67
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide

N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide (PubChem CID 6498433) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide
PubChem CID6498433
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide
SMILESCc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NCc1ccco1)CCS3
InChIInChI=1S/C20H18N4O3S/c1-12-4-5-15-14(9-12)17-18(19(26)23-6-8-28-20(23)22-17)24(15)11-16(25)21-10-13-3-2-7-27-13/h2-5,7,9H,6,8,10-11H2,1H3,(H,21,25)
InChIKeyZBONKSNQIBSMBY-UHFFFAOYSA-N
XLogP2.67
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide with MolForge

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Related Compounds

2-(13-fluoro-2-oxo-7-thia-3,9,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),8,11(16),12,14-pentaen-17-yl)-N-(furan-2-ylmethyl)acetamide
CID 7692932
2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide
CID 7708947
N-benzyl-2-(4-fluoro-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide
CID 7708758
2-(3-benzyl-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 27371851
N-[(2S)-butan-2-yl]-2-(4-methoxy-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide
CID 7692924
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
CID 71959422
2-(3-benzyl-5,8-dimethyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 22424070
2-[4,6-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(furan-2-ylmethyl)acetamide
CID 46355368
2-(2-amino-4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 95857463
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 24631708
2-(6,7-dimethyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyrimidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 53193231
N-(furan-2-ylmethyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410275

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide (CID 6498433) is N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide is Cc1ccc2c(c1)c1nc3n(c(=O)c1n2CC(=O)NCc1ccco1)CCS3.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide?
The InChIKey is ZBONKSNQIBSMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-12-4-5-15-14(9-12)17-18(19(26)23-6-8-28-20(23)22-17)24(15)11-16(25)21-10-13-3-2-7-27-13/h2-5,7,9H,6,8,10-11H2,1H3,(H,21,25).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide?
N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide has a molecular weight of 394.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methyl-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)acetamide is sourced from PubChem (CID 6498433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).