(10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide

C20H20N2OS — CID 92690693

IUPAC(10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cccc4c3n2C[C@H](C)S4)c(C)c1
InChIInChI=1S/C20H20N2OS/c1-12-7-8-16(13(2)9-12)21-20(23)17-10-15-5-4-6-18-19(15)22(17)11-14(3)24-18/h4-10,14H,11H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyQCOCYZBRWXILFZ-AWEZNQCLSA-N
MW336.46 g/mol
LogP5.00
Rot. Bonds2

About (10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide

(10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide (PubChem CID 92690693) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is (10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide.

Molecular Properties

Compound Name(10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
PubChem CID92690693
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name(10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cccc4c3n2C[C@H](C)S4)c(C)c1
InChIInChI=1S/C20H20N2OS/c1-12-7-8-16(13(2)9-12)21-20(23)17-10-15-5-4-6-18-19(15)22(17)11-14(3)24-18/h4-10,14H,11H2,1-3H3,(H,21,23)/t14-/m0/s1
InChIKeyQCOCYZBRWXILFZ-AWEZNQCLSA-N
XLogP5.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide with MolForge

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Related Compounds

N-[(4-ethylphenyl)methyl]-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide
CID 20916361
N-(2,4-dimethylphenyl)-2-[(2S)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875277
2-cyclobutyl-N-(2,4-dimethylphenyl)-1-oxoisoquinoline-3-carboxamide
CID 171999865
N-(2,4-dimethylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095478
N-(2,4-dimethylphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015275
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
N-(2,5-dimethylphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875274
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(2,4-dimethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364166
N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
CID 47259565
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969

Frequently Asked Questions

What is the IUPAC name of (10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The IUPAC name of (10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide (CID 92690693) is (10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide.
What is the SMILES notation for (10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The canonical SMILES for (10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide is Cc1ccc(NC(=O)c2cc3cccc4c3n2C[C@H](C)S4)c(C)c1.
What is the InChIKey of (10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
The InChIKey is QCOCYZBRWXILFZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-12-7-8-16(13(2)9-12)21-20(23)17-10-15-5-4-6-18-19(15)22(17)11-14(3)24-18/h4-10,14H,11H2,1-3H3,(H,21,23)/t14-/m0/s1.
What are the key properties of (10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide?
(10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-N-(2,4-dimethylphenyl)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxamide is sourced from PubChem (CID 92690693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).