N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C25H26N4O4S — CID 53050060

IUPACN-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)cc(OC)c1
InChIInChI=1S/C25H26N4O4S/c1-15-10-16(2)26-24-22(15)29(8-9-34-24)25(31)28-18-7-5-6-17(11-18)23(30)27-19-12-20(32-3)14-21(13-19)33-4/h5-7,10-14H,8-9H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyMVXQATFUDIYDMN-UHFFFAOYSA-N
MW478.57 g/mol
LogP5.11
Rot. Bonds5

About N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 53050060) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID53050060
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)cc(OC)c1
InChIInChI=1S/C25H26N4O4S/c1-15-10-16(2)26-24-22(15)29(8-9-34-24)25(31)28-18-7-5-6-17(11-18)23(30)27-19-12-20(32-3)14-21(13-19)33-4/h5-7,10-14H,8-9H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyMVXQATFUDIYDMN-UHFFFAOYSA-N
XLogP5.11
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.57
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(3,4-dimethylphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050080
N-[4-[(3-fluorophenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279635
6,8-dimethyl-N-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050110
N-[3-[2-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 53050121
N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 46279602
N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide
CID 18106096
N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
CID 107574824
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide
CID 55696947
N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide
CID 46995483
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 53050060) is N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is COc1cc(NC(=O)c2cccc(NC(=O)N3CCSc4nc(C)cc(C)c43)c2)cc(OC)c1.
What is the InChIKey of N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is MVXQATFUDIYDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-15-10-16(2)26-24-22(15)29(8-9-34-24)25(31)28-18-7-5-6-17(11-18)23(30)27-19-12-20(32-3)14-21(13-19)33-4/h5-7,10-14H,8-9H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethoxyphenyl)carbamoyl]phenyl]-6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 53050060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).