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

C20H24ClN3O2S — CID 90944160

IUPACN-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide
SMILESC=CCC1(S(=O)Nc2cc(C)c(=O)n(C)c2Nc2ccc(C)cc2Cl)CC1
InChIInChI=1S/C20H24ClN3O2S/c1-5-8-20(9-10-20)27(26)23-17-12-14(3)19(25)24(4)18(17)22-16-7-6-13(2)11-15(16)21/h5-7,11-12,22-23H,1,8-10H2,2-4H3
InChIKeyKJKFUBMGCHUBQX-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.58
Rot. Bonds7

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

N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide (PubChem CID 90944160) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide
PubChem CID90944160
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC NameN-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide
SMILESC=CCC1(S(=O)Nc2cc(C)c(=O)n(C)c2Nc2ccc(C)cc2Cl)CC1
InChIInChI=1S/C20H24ClN3O2S/c1-5-8-20(9-10-20)27(26)23-17-12-14(3)19(25)24(4)18(17)22-16-7-6-13(2)11-15(16)21/h5-7,11-12,22-23H,1,8-10H2,2-4H3
InChIKeyKJKFUBMGCHUBQX-UHFFFAOYSA-N
XLogP4.58
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide
CID 91057852
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]butane-1-sulfinamide
CID 90863966
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)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(2-methylpropyl)cyclopropane-1-sulfinamide
CID 91478291
N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-2-(2-methylpropyl)cyclopropane-1-sulfinamide
CID 90856556
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
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]-1-prop-2-enylcyclopropane-1-sulfinamide?
The IUPAC name of N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide (CID 90944160) is N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide.
What is the SMILES notation for N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide?
The canonical SMILES for N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide is C=CCC1(S(=O)Nc2cc(C)c(=O)n(C)c2Nc2ccc(C)cc2Cl)CC1.
What is the InChIKey of N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide?
The InChIKey is KJKFUBMGCHUBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-5-8-20(9-10-20)27(26)23-17-12-14(3)19(25)24(4)18(17)22-16-7-6-13(2)11-15(16)21/h5-7,11-12,22-23H,1,8-10H2,2-4H3.
What are the key properties of N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide?
N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide has a molecular weight of 405.95 g/mol, XLogP of 4.58, 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]-1-prop-2-enylcyclopropane-1-sulfinamide is sourced from PubChem (CID 90944160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).