N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide

C18H24ClN3O2S — CID 90863966

IUPACN-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide
SMILESCCCCS(=O)Nc1cc(C)c(=O)n(C)c1Nc1ccc(C)cc1Cl
InChIInChI=1S/C18H24ClN3O2S/c1-5-6-9-25(24)21-16-11-13(3)18(23)22(4)17(16)20-15-8-7-12(2)10-14(15)19/h7-8,10-11,20-21H,5-6,9H2,1-4H3
InChIKeyQZOXTJKRFZMOBD-UHFFFAOYSA-N
MW381.93 g/mol
LogP4.27
Rot. Bonds7

About N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide

N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide (PubChem CID 90863966) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide
PubChem CID90863966
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC NameN-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide
SMILESCCCCS(=O)Nc1cc(C)c(=O)n(C)c1Nc1ccc(C)cc1Cl
InChIInChI=1S/C18H24ClN3O2S/c1-5-6-9-25(24)21-16-11-13(3)18(23)22(4)17(16)20-15-8-7-12(2)10-14(15)19/h7-8,10-11,20-21H,5-6,9H2,1-4H3
InChIKeyQZOXTJKRFZMOBD-UHFFFAOYSA-N
XLogP4.27
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(2-methylpropyl)cyclopropane-1-sulfinamide
CID 91478291
N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide
CID 91057852
1-butyl-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 91522702
N-[2-(2-chloro-4-methylanilino)-4-methoxy-1-methyl-6-oxo-3-pyridinyl]ethanesulfinamide
CID 91111727
N-[2-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfinamide
CID 90829292
N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(2-methylpropyl)cyclopropane-1-sulfinamide
CID 90856556
6-(2-chloro-4-methylanilino)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylic acid
CID 142284829
N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(3-hydroxyphenyl)cyclopropane-1-sulfinamide
CID 91355660
N-[2-(2-chloro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]thiophene-2-sulfonamide
CID 68794347
2-(2-fluoro-4-methoxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 91589872

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide?
The IUPAC name of N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide (CID 90863966) is N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide.
What is the SMILES notation for N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide?
The canonical SMILES for N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide is CCCCS(=O)Nc1cc(C)c(=O)n(C)c1Nc1ccc(C)cc1Cl.
What is the InChIKey of N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide?
The InChIKey is QZOXTJKRFZMOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2S/c1-5-6-9-25(24)21-16-11-13(3)18(23)22(4)17(16)20-15-8-7-12(2)10-14(15)19/h7-8,10-11,20-21H,5-6,9H2,1-4H3.
What are the key properties of N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide?
N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide has a molecular weight of 381.93 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]butane-1-sulfinamide is sourced from PubChem (CID 90863966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).