N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide

C17H13N5O3S — CID 10248383

IUPACN-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide
SMILESCC(=O)N(C(C)=O)n1c(C)nc2c(sc3nc4ccccc4nc32)c1=O
InChIInChI=1S/C17H13N5O3S/c1-8-18-13-14-16(20-12-7-5-4-6-11(12)19-14)26-15(13)17(25)21(8)22(9(2)23)10(3)24/h4-7H,1-3H3
InChIKeyYRLRDCZMUHCAQA-UHFFFAOYSA-N
MW367.39 g/mol
LogP1.89
Rot. Bonds1

About N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide

N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide (PubChem CID 10248383) has the molecular formula C17H13N5O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide
PubChem CID10248383
Molecular FormulaC17H13N5O3S
Molecular Weight367.39 g/mol
Exact Mass367.07
IUPAC NameN-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide
SMILESCC(=O)N(C(C)=O)n1c(C)nc2c(sc3nc4ccccc4nc32)c1=O
InChIInChI=1S/C17H13N5O3S/c1-8-18-13-14-16(20-12-7-5-4-6-11(12)19-14)26-15(13)17(25)21(8)22(9(2)23)10(3)24/h4-7H,1-3H3
InChIKeyYRLRDCZMUHCAQA-UHFFFAOYSA-N
XLogP1.89
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide with MolForge

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Related Compounds

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CID 101854852
Ethyl [(4-oxo-3-phenyl-3,4-dihydropyrimido[4',5':4,5]thieno[2,3-b]quinoxalin-2-yl)sulfanyl]acetate
CID 1229569
2-methylpyrimido[4',5':4,5]thieno[2,3-b]quinoxalin-4(3H)-one
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3-Aminothieno[2,3-b]quinoxaline-2-carboxamide
CID 15828723
17-Thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 135417215
17-Thia-2,9,12,13,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 147492909
3-Aminothieno[3,2-b]quinoxaline-2-carboxamide;17-thia-2,9,12,13,14-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 157502732
14-[(E)-benzylideneamino]-13-phenyl-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 10048497
3-Aminothieno[3,2-b]quinoxaline-2-carbohydrazide
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N-[2-(formamidocarbamoyl)thieno[3,2-b]quinoxalin-3-yl]formamide
CID 10380971
14-Phenyl-13-sulfanylidene-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16)-hexaen-15-one
CID 15319417
13-Hydrazinyl-14-phenyl-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 15319418

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide?
The IUPAC name of N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide (CID 10248383) is N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide?
The canonical SMILES for N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide is CC(=O)N(C(C)=O)n1c(C)nc2c(sc3nc4ccccc4nc32)c1=O.
What is the InChIKey of N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide?
The InChIKey is YRLRDCZMUHCAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3S/c1-8-18-13-14-16(20-12-7-5-4-6-11(12)19-14)26-15(13)17(25)21(8)22(9(2)23)10(3)24/h4-7H,1-3H3.
What are the key properties of N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide?
N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide has a molecular weight of 367.39 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(13-methyl-15-oxo-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-14-yl)acetamide is sourced from PubChem (CID 10248383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).