N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide

C18H23N3O4S — CID 126394594

IUPACN-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1ccc(C)c(C)c1
InChIInChI=1S/C18H23N3O4S/c1-12-5-8-16(25-4)17(9-12)26(23,24)21(11-18(22)20-19)15-7-6-13(2)14(3)10-15/h5-10H,11,19H2,1-4H3,(H,20,22)
InChIKeyUGTNNGSBDYHBCH-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.81
Rot. Bonds6

About N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide

N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 126394594) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID126394594
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1ccc(C)c(C)c1
InChIInChI=1S/C18H23N3O4S/c1-12-5-8-16(25-4)17(9-12)26(23,24)21(11-18(22)20-19)15-7-6-13(2)14(3)10-15/h5-10H,11,19H2,1-4H3,(H,20,22)
InChIKeyUGTNNGSBDYHBCH-UHFFFAOYSA-N
XLogP1.81
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126391900
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetic acid
CID 1022049
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2S)-pentan-2-yl]acetamide
CID 126394527
N-(4-bromophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126394469
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 126398035
N-(2-fluorophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetamide
CID 126395488
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-propan-2-ylacetamide
CID 126395330
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 838667
N-(5-chloro-2-methylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126395247
N-(4-acetamidophenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetamide
CID 126393004
N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 91671580
2-(3-chloro-4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 2992480

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide (CID 126394594) is N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NN)c1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is UGTNNGSBDYHBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-12-5-8-16(25-4)17(9-12)26(23,24)21(11-18(22)20-19)15-7-6-13(2)14(3)10-15/h5-10H,11,19H2,1-4H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 126394594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).