2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide

C23H29NO4S — CID 3741744

IUPAC2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide
SMILESCCc1ccc(CN(C(=O)COc2c(C)cccc2C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C23H29NO4S/c1-4-19-8-10-20(11-9-19)14-24(21-12-13-29(26,27)16-21)22(25)15-28-23-17(2)6-5-7-18(23)3/h5-11,21H,4,12-16H2,1-3H3
InChIKeyRTFSMRHZBJEKPY-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.46
Rot. Bonds7

About 2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide

2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide (PubChem CID 3741744) has the molecular formula C23H29NO4S and a molecular weight of 415.56 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide
PubChem CID3741744
Molecular FormulaC23H29NO4S
Molecular Weight415.56 g/mol
Exact Mass415.18
IUPAC Name2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide
SMILESCCc1ccc(CN(C(=O)COc2c(C)cccc2C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C23H29NO4S/c1-4-19-8-10-20(11-9-19)14-24(21-12-13-29(26,27)16-21)22(25)15-28-23-17(2)6-5-7-18(23)3/h5-11,21H,4,12-16H2,1-3H3
InChIKeyRTFSMRHZBJEKPY-UHFFFAOYSA-N
XLogP3.46
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide (CID 3741744) is 2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide is CCc1ccc(CN(C(=O)COc2c(C)cccc2C)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide?
The InChIKey is RTFSMRHZBJEKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4S/c1-4-19-8-10-20(11-9-19)14-24(21-12-13-29(26,27)16-21)22(25)15-28-23-17(2)6-5-7-18(23)3/h5-11,21H,4,12-16H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide?
2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide has a molecular weight of 415.56 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]acetamide is sourced from PubChem (CID 3741744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).