N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

C25H27N5O4S2 — CID 89311873

IUPACN-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESC=C(Nc1ccnc2ccc(OC)nc12)C1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C25H27N5O4S2/c1-15(27-20-11-12-26-19-8-10-24(34-2)29-25(19)20)16-3-5-17(6-4-16)30-36(32,33)18-7-9-22-21(13-18)28-23(31)14-35-22/h7-13,16-17,30H,1,3-6,14H2,2H3,(H,26,27)(H,28,31)
InChIKeyFFQDYRLIYSCJRA-UHFFFAOYSA-N
MW525.66 g/mol
LogP4.15
Rot. Bonds7

About N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (PubChem CID 89311873) has the molecular formula C25H27N5O4S2 and a molecular weight of 525.66 g/mol. Its IUPAC name is N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound NameN-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
PubChem CID89311873
Molecular FormulaC25H27N5O4S2
Molecular Weight525.66 g/mol
Exact Mass525.15
IUPAC NameN-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESC=C(Nc1ccnc2ccc(OC)nc12)C1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1
InChIInChI=1S/C25H27N5O4S2/c1-15(27-20-11-12-26-19-8-10-24(34-2)29-25(19)20)16-3-5-17(6-4-16)30-36(32,33)18-7-9-22-21(13-18)28-23(31)14-35-22/h7-13,16-17,30H,1,3-6,14H2,2H3,(H,26,27)(H,28,31)
InChIKeyFFQDYRLIYSCJRA-UHFFFAOYSA-N
XLogP4.15
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.66
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide with MolForge

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Related Compounds

N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyliminomethyl]cyclohexane-1-carboxamide
CID 152951766
6-[(cyclohexylamino)methyl]-4H-1,4-benzothiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
CID 69377934
N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550000
(4R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(3-oxo-4H-1,4-benzothiazin-6-yl)methylamino]cyclohexene-1-carboxamide
CID 91083502
N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid
CID 131726283
(3S,4R)-3,4-dihydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide
CID 10164462
N-[2-[4-(6-methoxy-1,5-naphthyridin-4-yl)-1,4-diazepan-1-yl]ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 11283942
(1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 10414057
(1R,3R,4R)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide;(1S,3S,4S)-4-[(7-fluoro-3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]-3-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)cyclohexane-1-carboxamide
CID 158104201
4-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-1-[2-oxo-2-(3-oxo-4H-1,4-benzothiazin-6-yl)ethyl]piperidine-4-carboxamide;oxalic acid
CID 159257059
1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide
CID 10391068
7-chloro-6-[[[(1S,2S)-2-hydroxycyclohexyl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one;(6-methoxy-1,5-naphthyridin-4-yl)carbamic acid
CID 69375921

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (CID 89311873) is N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is C=C(Nc1ccnc2ccc(OC)nc12)C1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)CC1.
What is the InChIKey of N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The InChIKey is FFQDYRLIYSCJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S2/c1-15(27-20-11-12-26-19-8-10-24(34-2)29-25(19)20)16-3-5-17(6-4-16)30-36(32,33)18-7-9-22-21(13-18)28-23(31)14-35-22/h7-13,16-17,30H,1,3-6,14H2,2H3,(H,26,27)(H,28,31).
What are the key properties of N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide has a molecular weight of 525.66 g/mol, XLogP of 4.15, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(6-methoxy-1,5-naphthyridin-4-yl)amino]ethenyl]cyclohexyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 89311873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).