N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide

C16H18N2OS — CID 47111890

IUPACN'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide
SMILESCC(Sc1ccccc1)C(=O)NN(C)c1ccccc1
InChIInChI=1S/C16H18N2OS/c1-13(20-15-11-7-4-8-12-15)16(19)17-18(2)14-9-5-3-6-10-14/h3-13H,1-2H3,(H,17,19)
InChIKeyOLQCSIYDCYPQIA-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.33
Rot. Bonds5

About N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide

N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide (PubChem CID 47111890) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide
PubChem CID47111890
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide
SMILESCC(Sc1ccccc1)C(=O)NN(C)c1ccccc1
InChIInChI=1S/C16H18N2OS/c1-13(20-15-11-7-4-8-12-15)16(19)17-18(2)14-9-5-3-6-10-14/h3-13H,1-2H3,(H,17,19)
InChIKeyOLQCSIYDCYPQIA-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

N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
(2S)-N-tert-butyl-2-phenylsulfanylpropanamide
CID 875313
(2S)-N-ethyl-2-phenylsulfanylpropanamide
CID 875325
2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide
CID 132652946
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide
CID 2942864
N-(2-aminoethyl)-2-phenylsulfanylpropanamide
CID 119384370
N-(3-methylbutyl)-2-phenylsulfanylpropanamide
CID 4791698
2-phenylsulfanyl-N-prop-2-ynylpropanamide
CID 46653085
(2S)-2-phenylsulfanylpropanoate
CID 7127744
2-(2-phenylsulfanylpropanoylamino)benzoic acid
CID 23990337
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
N-(2-fluorophenyl)-2-phenylsulfanylpropanamide
CID 2959569

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide?
The IUPAC name of N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide (CID 47111890) is N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide.
What is the SMILES notation for N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide?
The canonical SMILES for N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide is CC(Sc1ccccc1)C(=O)NN(C)c1ccccc1.
What is the InChIKey of N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide?
The InChIKey is OLQCSIYDCYPQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-13(20-15-11-7-4-8-12-15)16(19)17-18(2)14-9-5-3-6-10-14/h3-13H,1-2H3,(H,17,19).
What are the key properties of N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide?
N'-methyl-N'-phenyl-2-phenylsulfanylpropanehydrazide 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-N'-phenyl-2-phenylsulfanylpropanehydrazide is sourced from PubChem (CID 47111890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).