N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide

C19H22N2O3S — CID 134100549

IUPACN'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide
SMILESCS(=O)c1ccccc1C(=O)N(NC(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H22N2O3S/c1-19(2,3)21(20-17(22)14-10-6-5-7-11-14)18(23)15-12-8-9-13-16(15)25(4)24/h5-13H,1-4H3,(H,20,22)
InChIKeyHCAPSFYRJHYUEN-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.01
Rot. Bonds3

About N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide

N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide (PubChem CID 134100549) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide
PubChem CID134100549
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide
SMILESCS(=O)c1ccccc1C(=O)N(NC(=O)c1ccccc1)C(C)(C)C
InChIInChI=1S/C19H22N2O3S/c1-19(2,3)21(20-17(22)14-10-6-5-7-11-14)18(23)15-12-8-9-13-16(15)25(4)24/h5-13H,1-4H3,(H,20,22)
InChIKeyHCAPSFYRJHYUEN-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-2-bromo-N-tert-butylbenzohydrazide
CID 14626566
N'-benzoyl-N-tert-butyl-2-nitrobenzohydrazide
CID 14626553
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-benzoyl-N-tert-butyl-2,3,4,5,6-pentafluorobenzohydrazide
CID 23276915
N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
CID 70427780
N'-benzoyl-N-tert-butylpyridine-2-carbohydrazide
CID 15767551
N'-benzoyl-N'-tert-butyl-2-methoxybenzohydrazide
CID 23164410
N'-tert-butyl-N'-prop-2-ynoylbenzohydrazide
CID 88511289
N-tert-butyl-N'-propanoylbenzohydrazide
CID 57065241
N-tert-butyl-2,3-dimethyl-N'-(4-methylbenzoyl)benzohydrazide
CID 70427389
N'-benzoyl-N-tert-butyl-3,4-dimethoxybenzohydrazide
CID 23276721
[2-acetyloxy-4-[benzamido(tert-butyl)carbamoyl]phenyl] acetate
CID 134114626

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide?
The IUPAC name of N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide (CID 134100549) is N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide.
What is the SMILES notation for N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide?
The canonical SMILES for N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide is CS(=O)c1ccccc1C(=O)N(NC(=O)c1ccccc1)C(C)(C)C.
What is the InChIKey of N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide?
The InChIKey is HCAPSFYRJHYUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-19(2,3)21(20-17(22)14-10-6-5-7-11-14)18(23)15-12-8-9-13-16(15)25(4)24/h5-13H,1-4H3,(H,20,22).
What are the key properties of N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide?
N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide has a molecular weight of 358.46 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N-tert-butyl-2-methylsulfinylbenzohydrazide is sourced from PubChem (CID 134100549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).