N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide

C18H22N4O4S — CID 50889431

IUPACN-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN)c2c(C)cccc2C)cc1
InChIInChI=1S/C18H22N4O4S/c1-12-5-4-6-13(2)18(12)22(11-17(24)21-19)27(25,26)16-9-7-15(8-10-16)20-14(3)23/h4-10H,11,19H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyPFCIAAJTRAHCCX-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.45
Rot. Bonds6

About N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide

N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide (PubChem CID 50889431) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
PubChem CID50889431
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN)c2c(C)cccc2C)cc1
InChIInChI=1S/C18H22N4O4S/c1-12-5-4-6-13(2)18(12)22(11-17(24)21-19)27(25,26)16-9-7-15(8-10-16)20-14(3)23/h4-10H,11,19H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyPFCIAAJTRAHCCX-UHFFFAOYSA-N
XLogP1.45
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.45
H-Bond Donors ≤ 53
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

N-[4-[(4-bromophenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889129
N-[4-[(2-ethoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889321
4-fluoro-N-(2-hydrazinyl-2-oxoethyl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 50892349
methyl 2-(N-(4-acetamidophenyl)sulfonyl-2,4,6-trimethylanilino)acetate
CID 50889481
2-(N-(4-acetamidophenyl)sulfonyl-2,6-dichloroanilino)acetic acid
CID 50889394
4-chloro-N-(2,6-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892466
N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889666
methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate
CID 50889081
2-(N-(4-acetamidophenyl)sulfonylanilino)acetyl chloride
CID 50889182
4-chloro-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892150
3,4-dichloro-N-(2,6-diethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50895453
N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide (CID 50889431) is N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)NN)c2c(C)cccc2C)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is PFCIAAJTRAHCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-12-5-4-6-13(2)18(12)22(11-17(24)21-19)27(25,26)16-9-7-15(8-10-16)20-14(3)23/h4-10H,11,19H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide?
N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 390.47 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 50889431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).