N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C23H22N4O2S — CID 46279602

IUPACN-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c(C)c1
InChIInChI=1S/C23H22N4O2S/c1-15-8-9-19(16(2)13-15)26-21(28)17-5-3-6-18(14-17)25-23(29)27-11-12-30-22-20(27)7-4-10-24-22/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyJLNPLOKNLKRCQM-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.09
Rot. Bonds3

About N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 46279602) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID46279602
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC NameN-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c(C)c1
InChIInChI=1S/C23H22N4O2S/c1-15-8-9-19(16(2)13-15)26-21(28)17-5-3-6-18(14-17)25-23(29)27-11-12-30-22-20(27)7-4-10-24-22/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyJLNPLOKNLKRCQM-UHFFFAOYSA-N
XLogP5.09
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide with MolForge

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Related Compounds

N-[3-(butan-2-ylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921133
N-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921260
N-(3-chloro-2-methylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279520
N-(2-ethylphenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920690
N-[3-[(3,4-dimethylphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050080
tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate
CID 7667817
N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050060
N-[4-(3-ethoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20921101
N-[(3-methoxyphenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920699
ethyl 3-(2,3-dihydro-1,4-benzothiazine-4-carbonylamino)benzoate
CID 20907144
N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052045
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057160

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 46279602) is N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is Cc1ccc(NC(=O)c2cccc(NC(=O)N3CCSc4ncccc43)c2)c(C)c1.
What is the InChIKey of N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is JLNPLOKNLKRCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c1-15-8-9-19(16(2)13-15)26-21(28)17-5-3-6-18(14-17)25-23(29)27-11-12-30-22-20(27)7-4-10-24-22/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 46279602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).