2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide

C19H25N3O4S — CID 18286787

IUPAC2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)n2cccc/c2=N\C(C)C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H25N3O4S/c1-13(2)20-18-8-6-7-11-22(18)19(23)15-9-10-16(26-5)17(12-15)27(24,25)21-14(3)4/h6-14,21H,1-5H3/b20-18+
InChIKeySLFOVRAMRQMXQB-CZIZESTLSA-N
MW391.49 g/mol
LogP2.18
Rot. Bonds6

About 2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide

2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide (PubChem CID 18286787) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
PubChem CID18286787
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(C(=O)n2cccc/c2=N\C(C)C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C19H25N3O4S/c1-13(2)20-18-8-6-7-11-22(18)19(23)15-9-10-16(26-5)17(12-15)27(24,25)21-14(3)4/h6-14,21H,1-5H3/b20-18+
InChIKeySLFOVRAMRQMXQB-CZIZESTLSA-N
XLogP2.18
TPSA89.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-methoxy-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 55505510
(3S,4S)-1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952831
N-(2-methoxyphenyl)-N-methyl-4-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 16611942
2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119401125
N,N-diethyl-2-fluoro-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 51327989
4-methoxy-N-(2-methylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 40742114
1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256273
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
2-methoxy-5-[2-(2-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 16592442
1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-N-phenylpyrrolidine-2-carboxamide
CID 43060412
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119543843
4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide
CID 29473495

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide (CID 18286787) is 2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide is COc1ccc(C(=O)n2cccc/c2=N\C(C)C)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
The InChIKey is SLFOVRAMRQMXQB-CZIZESTLSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13(2)20-18-8-6-7-11-22(18)19(23)15-9-10-16(26-5)17(12-15)27(24,25)21-14(3)4/h6-14,21H,1-5H3/b20-18+.
What are the key properties of 2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide?
2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide has a molecular weight of 391.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 18286787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).