N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide

C16H20ClN3O3S — CID 91111727

IUPACN-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide
SMILESCCS(=O)Nc1c(OC)cc(=O)n(C)c1Nc1ccc(C)cc1Cl
InChIInChI=1S/C16H20ClN3O3S/c1-5-24(22)19-15-13(23-4)9-14(21)20(3)16(15)18-12-7-6-10(2)8-11(12)17/h6-9,18-19H,5H2,1-4H3
InChIKeyVMECOYUTPXUJDM-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.19
Rot. Bonds6

About N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide

N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide (PubChem CID 91111727) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide
PubChem CID91111727
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC NameN-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide
SMILESCCS(=O)Nc1c(OC)cc(=O)n(C)c1Nc1ccc(C)cc1Cl
InChIInChI=1S/C16H20ClN3O3S/c1-5-24(22)19-15-13(23-4)9-14(21)20(3)16(15)18-12-7-6-10(2)8-11(12)17/h6-9,18-19H,5H2,1-4H3
InChIKeyVMECOYUTPXUJDM-UHFFFAOYSA-N
XLogP3.19
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 90973678
N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide
CID 90863966
3-chloro-N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]propane-1-sulfinamide
CID 91072184
N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide
CID 90944160
1-(2,3-dihydroxypropyl)-N-[2-(2-fluoro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 91061488
N-(2-chlorophenyl)-2-methoxy-4-methylaniline
CID 142713030
N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(2-methylpropyl)cyclopropane-1-sulfinamide
CID 91478291
1-(2-chloro-4-methylanilino)-3,4-dimethylpyrrole-2,5-dione
CID 58230223
ethane;2-(2-fluoro-4-methylanilino)-4-(3-methoxy-2-methylphenoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 144833136
bis(1-chloro-2-methoxy-4-methylbenzene);ethene;propane
CID 158628534
N-(4-chloro-2,5-dimethoxyphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30444435
5-[(2-chloro-4-methylanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28967528

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide?
The IUPAC name of N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide (CID 91111727) is N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide.
What is the SMILES notation for N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide?
The canonical SMILES for N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide is CCS(=O)Nc1c(OC)cc(=O)n(C)c1Nc1ccc(C)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide?
The InChIKey is VMECOYUTPXUJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c1-5-24(22)19-15-13(23-4)9-14(21)20(3)16(15)18-12-7-6-10(2)8-11(12)17/h6-9,18-19H,5H2,1-4H3.
What are the key properties of N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide?
N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide has a molecular weight of 369.87 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide is sourced from PubChem (CID 91111727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).