N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide

C16H18N2OS — CID 9479963

IUPACN'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide
SMILESCSCc1ccc(C(=O)NN(C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2OS/c1-18(15-6-4-3-5-7-15)17-16(19)14-10-8-13(9-11-14)12-20-2/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyIYVDHKXPSMTXHC-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.33
Rot. Bonds5

About N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide

N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide (PubChem CID 9479963) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide
PubChem CID9479963
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide
SMILESCSCc1ccc(C(=O)NN(C)c2ccccc2)cc1
InChIInChI=1S/C16H18N2OS/c1-18(15-6-4-3-5-7-15)17-16(19)14-10-8-13(9-11-14)12-20-2/h3-11H,12H2,1-2H3,(H,17,19)
InChIKeyIYVDHKXPSMTXHC-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.33
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

4-tert-butyl-N'-methyl-N'-phenylbenzohydrazide
CID 9479496
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
4-(methylsulfanylmethyl)-N'-(2-phenylacetyl)benzohydrazide
CID 24536163
3,5-difluoro-N'-methyl-N'-phenylbenzohydrazide
CID 9479852
N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
CID 18167081
N'-methyl-4-(2-oxopiperidin-1-yl)-N'-phenylbenzohydrazide
CID 18121150
N'-methyl-N'-phenyl-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 9479606
N-[4-[(N-methylanilino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9480193
N'-[4-(methylsulfanylmethyl)benzoyl]pyridine-2-carbohydrazide
CID 9331191
4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986022
N'-methyl-4-(4-methylsulfanylphenyl)-4-oxo-N'-phenylbutanehydrazide
CID 44759171
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide?
The IUPAC name of N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide (CID 9479963) is N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide.
What is the SMILES notation for N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide?
The canonical SMILES for N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide is CSCc1ccc(C(=O)NN(C)c2ccccc2)cc1.
What is the InChIKey of N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide?
The InChIKey is IYVDHKXPSMTXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-18(15-6-4-3-5-7-15)17-16(19)14-10-8-13(9-11-14)12-20-2/h3-11H,12H2,1-2H3,(H,17,19).
What are the key properties of N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide?
N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide has a molecular weight of 286.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide is sourced from PubChem (CID 9479963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).