N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide

C19H21NO5S — CID 633100

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide
SMILESCN(C(=O)COc1ccc(Oc2ccccc2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO5S/c1-20(15-11-12-26(22,23)14-15)19(21)13-24-16-7-9-18(10-8-16)25-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyKEDSCUQZRCJHQO-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.50
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide (PubChem CID 633100) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide
PubChem CID633100
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide
SMILESCN(C(=O)COc1ccc(Oc2ccccc2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H21NO5S/c1-20(15-11-12-26(22,23)14-15)19(21)13-24-16-7-9-18(10-8-16)25-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyKEDSCUQZRCJHQO-UHFFFAOYSA-N
XLogP2.50
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-phenoxyacetamide
CID 2850487
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
CID 2935977
N-(1,1-dioxothiolan-3-yl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 3129057
N-(1,1-dioxothiolan-3-yl)-2-(3-methoxyphenoxy)acetamide
CID 4649705
N-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N-methyl-2-[3-(3-methyl-butoxy)-phenoxy]-acetamide
CID 649793
2-(4-tert-butylphenoxy)-N-(1,1-dioxidotetrahydro-3-thienyl)-N-methylacetamide
CID 2941615
N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-ethylphenoxy)acetamide
CID 4551957
N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-phenoxyphenoxy)acetamide
CID 3129052
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 4520259
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)-N-methylacetamide
CID 2729771
2-(3-bromophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 3236331
N-benzyl-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(4-ethylphenoxy)propanamide
CID 3789363

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide (CID 633100) is N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide is CN(C(=O)COc1ccc(Oc2ccccc2)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide?
The InChIKey is KEDSCUQZRCJHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-20(15-11-12-26(22,23)14-15)19(21)13-24-16-7-9-18(10-8-16)25-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenoxyphenoxy)acetamide has a molecular weight of 375.45 g/mol, XLogP of 2.50, 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-methyl-2-(4-phenoxyphenoxy)acetamide is sourced from PubChem (CID 633100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).