N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

C18H26N2O5S — CID 43056072

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCN(C(=O)CNc1cccc(OCC2CCCO2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O5S/c1-20(15-7-9-26(22,23)13-15)18(21)11-19-14-4-2-5-16(10-14)25-12-17-6-3-8-24-17/h2,4-5,10,15,17,19H,3,6-9,11-13H2,1H3
InChIKeyDGVLTHXMBGNUNA-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.30
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (PubChem CID 43056072) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
PubChem CID43056072
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
SMILESCN(C(=O)CNc1cccc(OCC2CCCO2)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O5S/c1-20(15-7-9-26(22,23)13-15)18(21)11-19-14-4-2-5-16(10-14)25-12-17-6-3-8-24-17/h2,4-5,10,15,17,19H,3,6-9,11-13H2,1H3
InChIKeyDGVLTHXMBGNUNA-UHFFFAOYSA-N
XLogP1.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
2-[3-(oxolan-2-ylmethoxy)anilino]-N-propylacetamide
CID 54828521
N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828489
2-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 109001910
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 7090839
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide (CID 43056072) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is CN(C(=O)CNc1cccc(OCC2CCCO2)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
The InChIKey is DGVLTHXMBGNUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-20(15-7-9-26(22,23)13-15)18(21)11-19-14-4-2-5-16(10-14)25-12-17-6-3-8-24-17/h2,4-5,10,15,17,19H,3,6-9,11-13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide has a molecular weight of 382.48 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide is sourced from PubChem (CID 43056072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).