N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide

C11H15N3O2S — CID 43302863

IUPACN'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide
SMILESCC(=O)NNC(=O)CSc1ccc(N)cc1C
InChIInChI=1S/C11H15N3O2S/c1-7-5-9(12)3-4-10(7)17-6-11(16)14-13-8(2)15/h3-5H,6,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyMOTOQHBSODOWBP-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.84
Rot. Bonds3

About N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide

N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide (PubChem CID 43302863) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide
PubChem CID43302863
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide
SMILESCC(=O)NNC(=O)CSc1ccc(N)cc1C
InChIInChI=1S/C11H15N3O2S/c1-7-5-9(12)3-4-10(7)17-6-11(16)14-13-8(2)15/h3-5H,6,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyMOTOQHBSODOWBP-UHFFFAOYSA-N
XLogP0.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-2-(4-amino-2-chlorophenyl)sulfanylacetohydrazide
CID 43305113
ethyl N-[2-(4-amino-2-methylphenyl)sulfanylacetyl]carbamate
CID 43303038
N-[2-(4-amino-2-methylphenyl)sulfanylethyl]acetamide
CID 43303052
4-(4-amino-2-methylphenyl)sulfanyl-3-methylbut-2-enoic acid
CID 77005662
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 43303062
2-(4-amino-2-methylphenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43303009
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 43303113
2-(4-amino-2-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 43302965
3-(4-amino-2-methylphenyl)sulfanyl-N-propan-2-ylpropanamide
CID 62626257
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 43302970
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 43302810
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 43303107

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide?
The IUPAC name of N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide (CID 43302863) is N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide.
What is the SMILES notation for N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide?
The canonical SMILES for N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide is CC(=O)NNC(=O)CSc1ccc(N)cc1C.
What is the InChIKey of N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide?
The InChIKey is MOTOQHBSODOWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7-5-9(12)3-4-10(7)17-6-11(16)14-13-8(2)15/h3-5H,6,12H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide?
N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide has a molecular weight of 253.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(4-amino-2-methylphenyl)sulfanylacetohydrazide is sourced from PubChem (CID 43302863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).