N-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

C16H20N4O5S2 — CID 48589839

IUPACN-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCOCc1nc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cs1
InChIInChI=1S/C16H20N4O5S2/c1-11-4-6-12(7-5-11)27(23,24)20(2)8-14(21)18-19-16(22)13-10-26-15(17-13)9-25-3/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeySERCXRMGMAEDRU-UHFFFAOYSA-N
MW412.49 g/mol
LogP0.68
Rot. Bonds7

About N-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

N-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 48589839) has the molecular formula C16H20N4O5S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
PubChem CID48589839
Molecular FormulaC16H20N4O5S2
Molecular Weight412.49 g/mol
Exact Mass412.09
IUPAC NameN-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
SMILESCOCc1nc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cs1
InChIInChI=1S/C16H20N4O5S2/c1-11-4-6-12(7-5-11)27(23,24)20(2)8-14(21)18-19-16(22)13-10-26-15(17-13)9-25-3/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,19,22)
InChIKeySERCXRMGMAEDRU-UHFFFAOYSA-N
XLogP0.68
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 26854587
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978855
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 95156376
N-[2-[2-(2-hydroxy-5-methylbenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 27681289
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26854580
N-[2-[2-(3,4-dimethylbenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 7978883
N-[2-[2-[2-[(4-methoxyphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 24636720
N,4-dimethyl-N-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 26763622
N,4-dimethyl-N-[2-oxo-2-[2-(2-thiophen-2-ylquinoline-4-carbonyl)hydrazinyl]ethyl]benzenesulfonamide
CID 27681392
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
N,4-dimethyl-N-[2-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 27681328
N-[2-[2-(5-bromo-2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 55376510

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide (CID 48589839) is N-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is COCc1nc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cs1.
What is the InChIKey of N-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is SERCXRMGMAEDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5S2/c1-11-4-6-12(7-5-11)27(23,24)20(2)8-14(21)18-19-16(22)13-10-26-15(17-13)9-25-3/h4-7,10H,8-9H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide?
N-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 412.49 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 48589839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).