2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide

C19H27NO4S — CID 55613713

IUPAC2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
SMILESCOc1ccc(CC(=O)N(CC2CCCO2)C2CCSC2)c(OC)c1
InChIInChI=1S/C19H27NO4S/c1-22-16-6-5-14(18(11-16)23-2)10-19(21)20(15-7-9-25-13-15)12-17-4-3-8-24-17/h5-6,11,15,17H,3-4,7-10,12-13H2,1-2H3
InChIKeyRHNYUUOOTBOMQB-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.76
Rot. Bonds7

About 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide

2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide (PubChem CID 55613713) has the molecular formula C19H27NO4S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
PubChem CID55613713
Molecular FormulaC19H27NO4S
Molecular Weight365.50 g/mol
Exact Mass365.17
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
SMILESCOc1ccc(CC(=O)N(CC2CCCO2)C2CCSC2)c(OC)c1
InChIInChI=1S/C19H27NO4S/c1-22-16-6-5-14(18(11-16)23-2)10-19(21)20(15-7-9-25-13-15)12-17-4-3-8-24-17/h5-6,11,15,17H,3-4,7-10,12-13H2,1-2H3
InChIKeyRHNYUUOOTBOMQB-UHFFFAOYSA-N
XLogP2.76
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 55613748
2-amino-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 60944233
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide
CID 55613249
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 46418634
2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
CID 60827055
3-(ethylamino)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)butanamide
CID 62838859
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]-1H-pyrrole-2-carboxamide
CID 97067533
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3S)-thiolan-3-yl]thiophene-3-carboxamide
CID 97008483
5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3R)-thiolan-3-yl]pyridine-3-carboxamide
CID 96562097
3-[methoxy(methyl)sulfamoyl]-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)benzamide
CID 55613304
N-(oxolan-2-ylmethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
CID 61029247
(2,4-dimethoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 6942240

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide (CID 55613713) is 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide is COc1ccc(CC(=O)N(CC2CCCO2)C2CCSC2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide?
The InChIKey is RHNYUUOOTBOMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4S/c1-22-16-6-5-14(18(11-16)23-2)10-19(21)20(15-7-9-25-13-15)12-17-4-3-8-24-17/h5-6,11,15,17H,3-4,7-10,12-13H2,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide?
2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide has a molecular weight of 365.50 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide is sourced from PubChem (CID 55613713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).