N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide

C25H17N5OS2 — CID 1430316

IUPACN-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2c3c(-c4ccccc4)csc3ncn12)Nc1cccc2ccccc12
InChIInChI=1S/C25H17N5OS2/c31-21(27-20-12-6-10-16-9-4-5-11-18(16)20)14-33-25-29-28-23-22-19(17-7-2-1-3-8-17)13-32-24(22)26-15-30(23)25/h1-13,15H,14H2,(H,27,31)
InChIKeyCJCMZQHZBMNBCZ-UHFFFAOYSA-N
MW467.58 g/mol
LogP5.89
Rot. Bonds5

About N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide

N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide (PubChem CID 1430316) has the molecular formula C25H17N5OS2 and a molecular weight of 467.58 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide
PubChem CID1430316
Molecular FormulaC25H17N5OS2
Molecular Weight467.58 g/mol
Exact Mass467.09
IUPAC NameN-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc2c3c(-c4ccccc4)csc3ncn12)Nc1cccc2ccccc12
InChIInChI=1S/C25H17N5OS2/c31-21(27-20-12-6-10-16-9-4-5-11-18(16)20)14-33-25-29-28-23-22-19(17-7-2-1-3-8-17)13-32-24(22)26-15-30(23)25/h1-13,15H,14H2,(H,27,31)
InChIKeyCJCMZQHZBMNBCZ-UHFFFAOYSA-N
XLogP5.89
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.58
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(11,12-dimethyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 1077883
N'-[2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetyl]cyclohexanecarbohydrazide
CID 3193254
1-(2,6-dimethylpiperidin-1-yl)-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]ethanone
CID 3193249
N-naphthalen-1-yl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 40861429
2-[[12-(4-fluorophenyl)-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl]acetic acid
CID 43811775
2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-naphthalen-1-ylacetamide
CID 992980
1-(2-methylpiperidin-1-yl)-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]ethanone
CID 3672827
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 1023204
2-[[4-ethyl-5-(5-methyl-4-phenylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 17266853
2-[(13-tert-butyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
CID 3193232
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[12-(4-methylphenyl)-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl]ethanone
CID 1464120
N-(2-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1404117

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide (CID 1430316) is N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide is O=C(CSc1nnc2c3c(-c4ccccc4)csc3ncn12)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide?
The InChIKey is CJCMZQHZBMNBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5OS2/c31-21(27-20-12-6-10-16-9-4-5-11-18(16)20)14-33-25-29-28-23-22-19(17-7-2-1-3-8-17)13-32-24(22)26-15-30(23)25/h1-13,15H,14H2,(H,27,31).
What are the key properties of N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide?
N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide has a molecular weight of 467.58 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[(12-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 1430316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).