N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide

C18H28N2O4S — CID 7503497

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1
InChIInChI=1S/C18H28N2O4S/c1-13(2)16-7-6-14(3)10-17(16)24-11-18(21)20(19(4)5)15-8-9-25(22,23)12-15/h6-7,10,13,15H,8-9,11-12H2,1-5H3/t15-/m1/s1
InChIKeyAKPQWDGSWWTVGK-OAHLLOKOSA-N
MW368.50 g/mol
LogP1.99
Rot. Bonds6

About N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide

N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide (PubChem CID 7503497) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
PubChem CID7503497
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide
SMILESCc1ccc(C(C)C)c(OCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1
InChIInChI=1S/C18H28N2O4S/c1-13(2)16-7-6-14(3)10-17(16)24-11-18(21)20(19(4)5)15-8-9-25(22,23)12-15/h6-7,10,13,15H,8-9,11-12H2,1-5H3/t15-/m1/s1
InChIKeyAKPQWDGSWWTVGK-OAHLLOKOSA-N
XLogP1.99
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.99
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-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 3363405
N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 138998223
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 55640454
N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 86907722
2-(2,4-dimethylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)acetamide
CID 7260038
2-[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethoxy]-4-methylbenzoic acid
CID 51515598
1-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 8857660
(2R)-N-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 7499253
N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 3707054
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 26008044
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 112978311
(5-methyl-2-propan-2-ylphenyl) 2-(1,1-dioxothiolan-3-yl)acetate
CID 21234298

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide (CID 7503497) is N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide is Cc1ccc(C(C)C)c(OCC(=O)N([C@@H]2CCS(=O)(=O)C2)N(C)C)c1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide?
The InChIKey is AKPQWDGSWWTVGK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-13(2)16-7-6-14(3)10-17(16)24-11-18(21)20(19(4)5)15-8-9-25(22,23)12-15/h6-7,10,13,15H,8-9,11-12H2,1-5H3/t15-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide?
N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide has a molecular weight of 368.50 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)acetohydrazide is sourced from PubChem (CID 7503497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).