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

C20H26ClN3O4S — CID 91057852

IUPACN-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide
SMILESCc1ccc(Nc2c(NS(=O)C3(CC(O)CO)CC3)cc(C)c(=O)n2C)c(Cl)c1
InChIInChI=1S/C20H26ClN3O4S/c1-12-4-5-16(15(21)8-12)22-18-17(9-13(2)19(27)24(18)3)23-29(28)20(6-7-20)10-14(26)11-25/h4-5,8-9,14,22-23,25-26H,6-7,10-11H2,1-3H3
InChIKeySLARRMKAAAKELB-UHFFFAOYSA-N
MW439.97 g/mol
LogP2.75
Rot. Bonds8

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

N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide (PubChem CID 91057852) has the molecular formula C20H26ClN3O4S and a molecular weight of 439.97 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide
PubChem CID91057852
Molecular FormulaC20H26ClN3O4S
Molecular Weight439.97 g/mol
Exact Mass439.13
IUPAC NameN-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide
SMILESCc1ccc(Nc2c(NS(=O)C3(CC(O)CO)CC3)cc(C)c(=O)n2C)c(Cl)c1
InChIInChI=1S/C20H26ClN3O4S/c1-12-4-5-16(15(21)8-12)22-18-17(9-13(2)19(27)24(18)3)23-29(28)20(6-7-20)10-14(26)11-25/h4-5,8-9,14,22-23,25-26H,6-7,10-11H2,1-3H3
InChIKeySLARRMKAAAKELB-UHFFFAOYSA-N
XLogP2.75
TPSA103.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.97
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-prop-2-enylcyclopropane-1-sulfinamide
CID 90944160
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
1-(2,3-dihydroxypropyl)-N-[4-(2-fluoro-4-methylanilino)-1-methyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 143564129
N-[2-(4-bromo-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
CID 46916398
1-[(2S)-2,3-dihydroxypropyl]-N-[2-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfonamide
CID 46916360
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-(4-ethyl-2-fluoroanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-4-methylbenzenesulfinamide
CID 90829292
2-(4-fluoro-2-hydroxyphenyl)-N-[2-(2-fluoro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]cyclopropane-1-sulfinamide
CID 90940718

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide?
The IUPAC name of N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide (CID 91057852) is N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide.
What is the SMILES notation for N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide?
The canonical SMILES for N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide is Cc1ccc(Nc2c(NS(=O)C3(CC(O)CO)CC3)cc(C)c(=O)n2C)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide?
The InChIKey is SLARRMKAAAKELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O4S/c1-12-4-5-16(15(21)8-12)22-18-17(9-13(2)19(27)24(18)3)23-29(28)20(6-7-20)10-14(26)11-25/h4-5,8-9,14,22-23,25-26H,6-7,10-11H2,1-3H3.
What are the key properties of N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide?
N-[2-(2-chloro-4-methylanilino)-1,5-dimethyl-6-oxo-3-pyridinyl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide has a molecular weight of 439.97 g/mol, XLogP of 2.75, 8 rotatable bonds, 4 hydrogen bond donors, and 6 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-(2,3-dihydroxypropyl)cyclopropane-1-sulfinamide is sourced from PubChem (CID 91057852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).