N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide

C17H24N2O5S — CID 7503503

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide
SMILESCCC(=O)c1ccc(OCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1
InChIInChI=1S/C17H24N2O5S/c1-4-16(20)13-5-7-15(8-6-13)24-11-17(21)19(18(2)3)14-9-10-25(22,23)12-14/h5-8,14H,4,9-12H2,1-3H3/t14-/m0/s1
InChIKeyPJYBGWCPVDWBRJ-AWEZNQCLSA-N
MW368.46 g/mol
LogP1.15
Rot. Bonds7

About N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide

N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide (PubChem CID 7503503) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide
PubChem CID7503503
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide
SMILESCCC(=O)c1ccc(OCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1
InChIInChI=1S/C17H24N2O5S/c1-4-16(20)13-5-7-15(8-6-13)24-11-17(21)19(18(2)3)14-9-10-25(22,23)12-14/h5-8,14H,4,9-12H2,1-3H3/t14-/m0/s1
InChIKeyPJYBGWCPVDWBRJ-AWEZNQCLSA-N
XLogP1.15
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethylphenoxy)-N-methylacetamide
CID 2317878
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methoxyphenoxy)-N-methylacetamide
CID 7259865
[2-[(1,1-dioxothiolan-3-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 55318334
2-(4-chlorophenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylacetamide
CID 7259855
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 55640454
2-(4-cyanophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 16540662
ethyl 4-[2-[cyclopropyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 7705996
2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 55327740
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547223
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 36547224
methyl 4-[2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 9417003
2-(4-acetylphenoxy)-N-cyclohexyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 30824688

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide (CID 7503503) is N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide is CCC(=O)c1ccc(OCC(=O)N([C@H]2CCS(=O)(=O)C2)N(C)C)cc1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide?
The InChIKey is PJYBGWCPVDWBRJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-4-16(20)13-5-7-15(8-6-13)24-11-17(21)19(18(2)3)14-9-10-25(22,23)12-14/h5-8,14H,4,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide has a molecular weight of 368.46 g/mol, XLogP of 1.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide is sourced from PubChem (CID 7503503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).