N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide

C17H26N2O4S — CID 55640454

IUPACN-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
SMILESCC(C)c1cccc(OCC(=O)N(C2CCS(=O)(=O)C2)N(C)C)c1
InChIInChI=1S/C17H26N2O4S/c1-13(2)14-6-5-7-16(10-14)23-11-17(20)19(18(3)4)15-8-9-24(21,22)12-15/h5-7,10,13,15H,8-9,11-12H2,1-4H3
InChIKeyMWGUJRLQXBRPMX-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.68
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide

N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide (PubChem CID 55640454) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
PubChem CID55640454
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
SMILESCC(C)c1cccc(OCC(=O)N(C2CCS(=O)(=O)C2)N(C)C)c1
InChIInChI=1S/C17H26N2O4S/c1-13(2)14-6-5-7-16(10-14)23-11-17(20)19(18(3)4)15-8-9-24(21,22)12-15/h5-7,10,13,15H,8-9,11-12H2,1-4H3
InChIKeyMWGUJRLQXBRPMX-UHFFFAOYSA-N
XLogP1.68
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 78767919
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(2-methylpropoxy)phenoxy]acetamide
CID 23741964
N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
CID 7503497
N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide
CID 7503503
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenoxy)-N-methylacetamide
CID 110755800
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 7090839
N-(2-hydroxypropyl)-N-methyl-2-(3-propan-2-ylphenoxy)acetamide
CID 55060918
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 26008044
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598191
2-(3-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7818841
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 26216027
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 7259865

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide (CID 55640454) is N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide is CC(C)c1cccc(OCC(=O)N(C2CCS(=O)(=O)C2)N(C)C)c1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide?
The InChIKey is MWGUJRLQXBRPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13(2)14-6-5-7-16(10-14)23-11-17(20)19(18(3)4)15-8-9-24(21,22)12-15/h5-7,10,13,15H,8-9,11-12H2,1-4H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide?
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide has a molecular weight of 354.47 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide is sourced from PubChem (CID 55640454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).