N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide

C22H26N4O3S — CID 121274354

IUPACN-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)nn2cc3c(cc12)CCCCCN3S(C)(=O)=O
InChIInChI=1S/C22H26N4O3S/c1-15-8-10-16(11-9-15)21-20(22(27)23-2)18-13-17-7-5-4-6-12-26(30(3,28)29)19(17)14-25(18)24-21/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,27)
InChIKeyZQHYAJFZZOBJPK-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.16
Rot. Bonds3

About N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide

N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide (PubChem CID 121274354) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide
PubChem CID121274354
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)nn2cc3c(cc12)CCCCCN3S(C)(=O)=O
InChIInChI=1S/C22H26N4O3S/c1-15-8-10-16(11-9-15)21-20(22(27)23-2)18-13-17-7-5-4-6-12-26(30(3,28)29)19(17)14-25(18)24-21/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,27)
InChIKeyZQHYAJFZZOBJPK-UHFFFAOYSA-N
XLogP3.16
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 69190926
5-cyclopentyl-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
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N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide?
The IUPAC name of N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide (CID 121274354) is N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide.
What is the SMILES notation for N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide?
The canonical SMILES for N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide is CNC(=O)c1c(-c2ccc(C)cc2)nn2cc3c(cc12)CCCCCN3S(C)(=O)=O.
What is the InChIKey of N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide?
The InChIKey is ZQHYAJFZZOBJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-15-8-10-16(11-9-15)21-20(22(27)23-2)18-13-17-7-5-4-6-12-26(30(3,28)29)19(17)14-25(18)24-21/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,27).
What are the key properties of N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide?
N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-methylphenyl)-15-methylsulfonyl-3,4,15-triazatricyclo[7.6.0.03,7]pentadeca-1,4,6,8-tetraene-6-carboxamide is sourced from PubChem (CID 121274354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).