N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide

C19H29NO4S — CID 78767919

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCCCCN(C(=O)COc1cccc(C(C)C)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H29NO4S/c1-4-5-10-20(17-9-11-25(22,23)14-17)19(21)13-24-18-8-6-7-16(12-18)15(2)3/h6-8,12,15,17H,4-5,9-11,13-14H2,1-3H3
InChIKeyGWNZXNRSWPBAKP-UHFFFAOYSA-N
MW367.51 g/mol
LogP3.00
Rot. Bonds8

About N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide

N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 78767919) has the molecular formula C19H29NO4S and a molecular weight of 367.51 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID78767919
Molecular FormulaC19H29NO4S
Molecular Weight367.51 g/mol
Exact Mass367.18
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCCCCN(C(=O)COc1cccc(C(C)C)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H29NO4S/c1-4-5-10-20(17-9-11-25(22,23)14-17)19(21)13-24-18-8-6-7-16(12-18)15(2)3/h6-8,12,15,17H,4-5,9-11,13-14H2,1-3H3
InChIKeyGWNZXNRSWPBAKP-UHFFFAOYSA-N
XLogP3.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 55640454
N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-4-propan-2-ylphenoxy)-N-propylacetamide
CID 78767804
N-butyl-2-(4-cyclohexylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40722854
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 134060267
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenyl)acetamide
CID 60591859
[2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 42974535
2-(4-acetylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 55327740
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)propanamide
CID 55523937
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55390910
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(2-methylpropoxy)phenoxy]acetamide
CID 23741964
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 78767226
methyl 3-[(1,1-dioxothiolan-3-yl)-(2-phenoxyacetyl)amino]propanoate
CID 43839701

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide (CID 78767919) is N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide is CCCCN(C(=O)COc1cccc(C(C)C)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is GWNZXNRSWPBAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4S/c1-4-5-10-20(17-9-11-25(22,23)14-17)19(21)13-24-18-8-6-7-16(12-18)15(2)3/h6-8,12,15,17H,4-5,9-11,13-14H2,1-3H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 367.51 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 78767919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).