N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide

C24H20N6O3S — CID 42571443

IUPACN-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)n3nc(-c4cccnc4)nc3c3c4c(sc32)CCC4)c1
InChIInChI=1S/C24H20N6O3S/c1-33-16-7-2-6-15(11-16)26-19(31)13-29-23-20(17-8-3-9-18(17)34-23)22-27-21(28-30(22)24(29)32)14-5-4-10-25-12-14/h2,4-7,10-12H,3,8-9,13H2,1H3,(H,26,31)
InChIKeyJUOXBCQMYDMFAM-UHFFFAOYSA-N
MW472.53 g/mol
LogP3.30
Rot. Bonds5

About N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide

N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide (PubChem CID 42571443) has the molecular formula C24H20N6O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide
PubChem CID42571443
Molecular FormulaC24H20N6O3S
Molecular Weight472.53 g/mol
Exact Mass472.13
IUPAC NameN-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)n3nc(-c4cccnc4)nc3c3c4c(sc32)CCC4)c1
InChIInChI=1S/C24H20N6O3S/c1-33-16-7-2-6-15(11-16)26-19(31)13-29-23-20(17-8-3-9-18(17)34-23)22-27-21(28-30(22)24(29)32)14-5-4-10-25-12-14/h2,4-7,10-12H,3,8-9,13H2,1H3,(H,26,31)
InChIKeyJUOXBCQMYDMFAM-UHFFFAOYSA-N
XLogP3.30
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide
CID 42582176
N-benzyl-2-(7-oxo-4-pyridin-4-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,11(16)-tetraen-8-yl)acetamide
CID 42571247
N-(3-methoxyphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 1091394
N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]acetamide
CID 18829643
N-(4-ethylphenyl)-2-[3-(3-methoxyphenyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]acetamide
CID 22429180
2-[2-(3-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 22330496
N-(3-methoxyphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 8928953
N-[4-(dimethylamino)phenyl]-2-[2-(3-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetamide
CID 4134212
N-(2,4-dimethylphenyl)-2-[2-(3-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetamide
CID 3370452
2-(2-benzylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(3-methoxyphenyl)acetamide
CID 7748671
N-(3-methoxyphenyl)-2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 986161
N-(3-methoxyphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233747

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide (CID 42571443) is N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide is COc1cccc(NC(=O)Cn2c(=O)n3nc(-c4cccnc4)nc3c3c4c(sc32)CCC4)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide?
The InChIKey is JUOXBCQMYDMFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3S/c1-33-16-7-2-6-15(11-16)26-19(31)13-29-23-20(17-8-3-9-18(17)34-23)22-27-21(28-30(22)24(29)32)14-5-4-10-25-12-14/h2,4-7,10-12H,3,8-9,13H2,1H3,(H,26,31).
What are the key properties of N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide?
N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide has a molecular weight of 472.53 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(7-oxo-4-pyridin-3-yl-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,11(15)-tetraen-8-yl)acetamide is sourced from PubChem (CID 42571443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).