N,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide

C25H30N4O3S2 — CID 42768339

IUPACN,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
SMILESCNC(=O)C1=C(C)N=C2SCCCN2C1c1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C25H30N4O3S2/c1-15-12-16(2)23(17(3)13-15)34(31,32)28-20-9-6-8-19(14-20)22-21(24(30)26-5)18(4)27-25-29(22)10-7-11-33-25/h6,8-9,12-14,22,28H,7,10-11H2,1-5H3,(H,26,30)
InChIKeyMWCBBHFJYKQOIO-UHFFFAOYSA-N
MW498.67 g/mol
LogP4.28
Rot. Bonds5

About N,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide

N,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide (PubChem CID 42768339) has the molecular formula C25H30N4O3S2 and a molecular weight of 498.67 g/mol. Its IUPAC name is N,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide.

Molecular Properties

Compound NameN,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
PubChem CID42768339
Molecular FormulaC25H30N4O3S2
Molecular Weight498.67 g/mol
Exact Mass498.18
IUPAC NameN,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
SMILESCNC(=O)C1=C(C)N=C2SCCCN2C1c1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C25H30N4O3S2/c1-15-12-16(2)23(17(3)13-15)34(31,32)28-20-9-6-8-19(14-20)22-21(24(30)26-5)18(4)27-25-29(22)10-7-11-33-25/h6,8-9,12-14,22,28H,7,10-11H2,1-5H3,(H,26,30)
InChIKeyMWCBBHFJYKQOIO-UHFFFAOYSA-N
XLogP4.28
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,8-dimethyl-6-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 42768338
6-[3-[(4-chlorobenzoyl)amino]phenyl]-N,8-dimethyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 42768290
6-[3-[(4-cyanophenyl)carbamoylamino]phenyl]-N,8-dimethyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 4258352
N,N,8-trimethyl-6-[3-(naphthalen-2-ylsulfonylamino)phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 4132726
ethyl 6-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 5226566
8-methyl-6-[3-[(3-methylphenyl)carbamoylamino]phenyl]-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 5205543
methyl 8-ethyl-6-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 42768333
6-[3-(furan-2-carbonylamino)phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 4196547
N-(2-methoxyphenyl)-8-methyl-6-[3-[(4-methylphenyl)carbamoylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 4232180
propan-2-yl (6S)-6-[3-[(3-fluorobenzoyl)amino]phenyl]-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 92518272
ethyl (6S)-8-methyl-6-[3-[(2-methylphenyl)carbamoylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 92947068
6-[3-(cyclopentanecarbonylamino)phenyl]-N-(2-methoxyphenyl)-8-methyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 4248370

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide?
The IUPAC name of N,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide (CID 42768339) is N,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide.
What is the SMILES notation for N,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide?
The canonical SMILES for N,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide is CNC(=O)C1=C(C)N=C2SCCCN2C1c1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of N,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide?
The InChIKey is MWCBBHFJYKQOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S2/c1-15-12-16(2)23(17(3)13-15)34(31,32)28-20-9-6-8-19(14-20)22-21(24(30)26-5)18(4)27-25-29(22)10-7-11-33-25/h6,8-9,12-14,22,28H,7,10-11H2,1-5H3,(H,26,30).
What are the key properties of N,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide?
N,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide has a molecular weight of 498.67 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-6-[3-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide is sourced from PubChem (CID 42768339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).