4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide

C28H35N2O3S+ — CID 2510520

IUPAC4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C28H34N2O3S/c1-28(2,3)23-10-12-24(13-11-23)33-20-21-6-8-22(9-7-21)27(31)29-19-25(26-5-4-18-34-26)30-14-16-32-17-15-30/h4-13,18,25H,14-17,19-20H2,1-3H3,(H,29,31)/p+1/t25-/m1/s1
InChIKeyYJWCSSJDRVZDFY-RUZDIDTESA-O
MW479.67 g/mol
LogP4.01
Rot. Bonds8

About 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide

4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 2510520) has the molecular formula C28H35N2O3S+ and a molecular weight of 479.67 g/mol. Its IUPAC name is 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide
PubChem CID2510520
Molecular FormulaC28H35N2O3S+
Molecular Weight479.67 g/mol
Exact Mass479.24
IUPAC Name4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C28H34N2O3S/c1-28(2,3)23-10-12-24(13-11-23)33-20-21-6-8-22(9-7-21)27(31)29-19-25(26-5-4-18-34-26)30-14-16-32-17-15-30/h4-13,18,25H,14-17,19-20H2,1-3H3,(H,29,31)/p+1/t25-/m1/s1
InChIKeyYJWCSSJDRVZDFY-RUZDIDTESA-O
XLogP4.01
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.67
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide with MolForge

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Related Compounds

4-[(4-tert-butylphenoxy)methyl]-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide
CID 2510514
N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 9094162
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-phenylmethoxybenzamide
CID 2510532
4-tert-butyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110604
3-(diethylsulfamoyl)-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide
CID 2309067
4-bromo-N-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 8798377
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide
CID 2087247
4-[(4-tert-butylphenoxy)methyl]-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 32974694
methyl 3-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]amino]propanoate
CID 40655214
3,4,5-trimethoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide
CID 8799365
4-(pyridin-4-ylmethoxy)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 36996936
2-(4-propanoylphenoxy)-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide
CID 8799674

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide (CID 2510520) is 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide is CC(C)(C)c1ccc(OCc2ccc(C(=O)NC[C@H](c3cccs3)[NH+]3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is YJWCSSJDRVZDFY-RUZDIDTESA-O. The full InChI is InChI=1S/C28H34N2O3S/c1-28(2,3)23-10-12-24(13-11-23)33-20-21-6-8-22(9-7-21)27(31)29-19-25(26-5-4-18-34-26)30-14-16-32-17-15-30/h4-13,18,25H,14-17,19-20H2,1-3H3,(H,29,31)/p+1/t25-/m1/s1.
What are the key properties of 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide?
4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 479.67 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenoxy)methyl]-N-[(2R)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 2510520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).