2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide

C14H21N3O4S — CID 17421400

IUPAC2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c(C)c1
InChIInChI=1S/C14H21N3O4S/c1-8(2)15-13(18)14(19)16-17-22(20,21)12-10(4)6-9(3)7-11(12)5/h6-8,17H,1-5H3,(H,15,18)(H,16,19)
InChIKeyDMMIITZVLJWONN-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.45
Rot. Bonds4

About 2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide

2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide (PubChem CID 17421400) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide.

Molecular Properties

Compound Name2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide
PubChem CID17421400
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide
SMILESCc1cc(C)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c(C)c1
InChIInChI=1S/C14H21N3O4S/c1-8(2)15-13(18)14(19)16-17-22(20,21)12-10(4)6-9(3)7-11(12)5/h6-8,17H,1-5H3,(H,15,18)(H,16,19)
InChIKeyDMMIITZVLJWONN-UHFFFAOYSA-N
XLogP0.45
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-dibromo-4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 56501579
2-[2-(4-fluorophenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8841002
(2S)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid
CID 22801291
(2S)-3-amino-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]propanoic acid
CID 91620907
N'-(4-fluoro-2,6-dimethylphenyl)sulfonylacetohydrazide
CID 107326948
N-propan-2-yl-4-[(2,4,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 69379957
2-[2-(4-cyclohexylphenyl)sulfonylhydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8841087
2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 14948232
N-(2,4,6-trimethylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43890284
N'-(2,4,6-trimethylphenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
CID 17436088
methyl 2-[(2-methoxy-2-oxoethyl)-(2,4,6-trimethylphenyl)sulfonylamino]acetate
CID 3101202
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide?
The IUPAC name of 2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide (CID 17421400) is 2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide.
What is the SMILES notation for 2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide?
The canonical SMILES for 2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide is Cc1cc(C)c(S(=O)(=O)NNC(=O)C(=O)NC(C)C)c(C)c1.
What is the InChIKey of 2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide?
The InChIKey is DMMIITZVLJWONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-8(2)15-13(18)14(19)16-17-22(20,21)12-10(4)6-9(3)7-11(12)5/h6-8,17H,1-5H3,(H,15,18)(H,16,19).
What are the key properties of 2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide?
2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide has a molecular weight of 327.41 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propan-2-yl-2-[2-(2,4,6-trimethylphenyl)sulfonylhydrazinyl]acetamide is sourced from PubChem (CID 17421400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).