N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide

C22H27NO2S — CID 135208237

IUPACN-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide
SMILESCC(C)c1ccc(OCC(=O)N(CC2CCCS2)c2ccccc2)cc1
InChIInChI=1S/C22H27NO2S/c1-17(2)18-10-12-20(13-11-18)25-16-22(24)23(15-21-9-6-14-26-21)19-7-4-3-5-8-19/h3-5,7-8,10-13,17,21H,6,9,14-16H2,1-2H3
InChIKeySQYVWWYOKCCBAH-UHFFFAOYSA-N
MW369.53 g/mol
LogP5.12
Rot. Bonds7

About N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide

N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide (PubChem CID 135208237) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide
PubChem CID135208237
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC NameN-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide
SMILESCC(C)c1ccc(OCC(=O)N(CC2CCCS2)c2ccccc2)cc1
InChIInChI=1S/C22H27NO2S/c1-17(2)18-10-12-20(13-11-18)25-16-22(24)23(15-21-9-6-14-26-21)19-7-4-3-5-8-19/h3-5,7-8,10-13,17,21H,6,9,14-16H2,1-2H3
InChIKeySQYVWWYOKCCBAH-UHFFFAOYSA-N
XLogP5.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-phenyl-N-(1-thiaspiro[4.6]undecan-2-ylmethyl)acetamide
CID 138547628
(2S)-N-cyclohexyl-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 100520603
2-(4-fluorophenoxy)-N-(oxolan-2-ylmethyl)-N-phenylacetamide
CID 110753047
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
(2S)-2-[benzyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100574876
2-[cyclopropyl-[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]propanoic acid
CID 119202241
2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 27870934
N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 133174742
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)methyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 100558210
1-[7-(2-fluorophenyl)-1,4-thiazepan-4-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 121163637
N-(3-methoxyphenyl)-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 44579998
(2S)-2-[2-phenylethyl-[2-(4-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 100534858

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide?
The IUPAC name of N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide (CID 135208237) is N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide?
The canonical SMILES for N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide is CC(C)c1ccc(OCC(=O)N(CC2CCCS2)c2ccccc2)cc1.
What is the InChIKey of N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide?
The InChIKey is SQYVWWYOKCCBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2S/c1-17(2)18-10-12-20(13-11-18)25-16-22(24)23(15-21-9-6-14-26-21)19-7-4-3-5-8-19/h3-5,7-8,10-13,17,21H,6,9,14-16H2,1-2H3.
What are the key properties of N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide?
N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide has a molecular weight of 369.53 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(4-propan-2-ylphenoxy)-N-(thiolan-2-ylmethyl)acetamide is sourced from PubChem (CID 135208237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).