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

C24H20N6O3S — CID 42582176

IUPACN-(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
SMILESCOc1ccc(NC(=O)Cn2c(=O)n3nc(-c4cccnc4)nc3c3c4c(sc32)CCC4)cc1
InChIInChI=1S/C24H20N6O3S/c1-33-16-9-7-15(8-10-16)26-19(31)13-29-23-20(17-5-2-6-18(17)34-23)22-27-21(28-30(22)24(29)32)14-4-3-11-25-12-14/h3-4,7-12H,2,5-6,13H2,1H3,(H,26,31)
InChIKeyGRRHUISVJKKLSW-UHFFFAOYSA-N
MW472.53 g/mol
LogP3.30
Rot. Bonds5

About 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

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 (PubChem CID 42582176) has the molecular formula C24H20N6O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID42582176
Molecular FormulaC24H20N6O3S
Molecular Weight472.53 g/mol
Exact Mass472.13
IUPAC NameN-(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
SMILESCOc1ccc(NC(=O)Cn2c(=O)n3nc(-c4cccnc4)nc3c3c4c(sc32)CCC4)cc1
InChIInChI=1S/C24H20N6O3S/c1-33-16-9-7-15(8-10-16)26-19(31)13-29-23-20(17-5-2-6-18(17)34-23)22-27-21(28-30(22)24(29)32)14-4-3-11-25-12-14/h3-4,7-12H,2,5-6,13H2,1H3,(H,26,31)
InChIKeyGRRHUISVJKKLSW-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-(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 with MolForge

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Related Compounds

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
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-(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-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-(dimethylamino)phenyl]-2-[2-(3-methoxyphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetamide
CID 4134212
2-(3-benzyl-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22423491
N-(4-chlorophenyl)-2-[3-(2-methoxyethyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]acetamide
CID 18829398
N-(3-methoxyphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 1091394
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-[2,4-dioxo-3-(2-phenylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 6621623
N-(4-chlorophenyl)-2-[11-(3-chlorophenyl)-10,12-dioxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-9-yl]acetamide
CID 31887400

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(NC(=O)Cn2c(=O)n3nc(-c4cccnc4)nc3c3c4c(sc32)CCC4)cc1.
What is the InChIKey of 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?
The InChIKey is GRRHUISVJKKLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3S/c1-33-16-9-7-15(8-10-16)26-19(31)13-29-23-20(17-5-2-6-18(17)34-23)22-27-21(28-30(22)24(29)32)14-4-3-11-25-12-14/h3-4,7-12H,2,5-6,13H2,1H3,(H,26,31).
What are the key properties of 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?
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 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-(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 is sourced from PubChem (CID 42582176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).