N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide

C19H15N3O2S — CID 5152608

IUPACN-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccn2c(=O)c3sccc3nc12
InChIInChI=1S/C19H15N3O2S/c1-21(12-13-6-3-2-4-7-13)18(23)14-8-5-10-22-17(14)20-15-9-11-25-16(15)19(22)24/h2-11H,12H2,1H3
InChIKeyGNDSUHNTPJFRGZ-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.18
Rot. Bonds3

About N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide

N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide (PubChem CID 5152608) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide
PubChem CID5152608
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cccn2c(=O)c3sccc3nc12
InChIInChI=1S/C19H15N3O2S/c1-21(12-13-6-3-2-4-7-13)18(23)14-8-5-10-22-17(14)20-15-9-11-25-16(15)19(22)24/h2-11H,12H2,1H3
InChIKeyGNDSUHNTPJFRGZ-UHFFFAOYSA-N
XLogP3.18
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide with MolForge

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Related Compounds

2-oxo-N-(thiophen-2-ylmethyl)-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide
CID 3374252
N-benzyl-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24627026
10-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaen-2-one
CID 4178688
10-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaen-2-one
CID 15994215
N-[(3-bromophenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 46857821
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide
CID 4937254
N-benzyl-N-ethyl-2-[3-(2-methoxyethyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 46921826
N-benzyl-2-bromo-N-methylpyridine-3-carboxamide
CID 103751706
N-benzyl-N-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxamide
CID 3297403
2-benzyl-N,4-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 135887672
N-benzyl-N,2-dimethylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 29181988
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18117640

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide (CID 5152608) is N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide is CN(Cc1ccccc1)C(=O)c1cccn2c(=O)c3sccc3nc12.
What is the InChIKey of N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide?
The InChIKey is GNDSUHNTPJFRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-21(12-13-6-3-2-4-7-13)18(23)14-8-5-10-22-17(14)20-15-9-11-25-16(15)19(22)24/h2-11H,12H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide?
N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-oxo-4-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),5,8,10,12-pentaene-10-carboxamide is sourced from PubChem (CID 5152608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).