2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide

C27H32N2O4S — CID 3210928

IUPAC2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1ccc(C(C(=O)NCc2ccc(OC)cc2)N(CCOC)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C27H32N2O4S/c1-4-20-7-11-22(12-8-20)26(27(31)28-19-21-9-13-23(33-3)14-10-21)29(15-16-32-2)25(30)18-24-6-5-17-34-24/h5-14,17,26H,4,15-16,18-19H2,1-3H3,(H,28,31)
InChIKeyBJMRTYUUYBCDRP-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.39
Rot. Bonds12

About 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide

2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 3210928) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID3210928
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC Name2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1ccc(C(C(=O)NCc2ccc(OC)cc2)N(CCOC)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C27H32N2O4S/c1-4-20-7-11-22(12-8-20)26(27(31)28-19-21-9-13-23(33-3)14-10-21)29(15-16-32-2)25(30)18-24-6-5-17-34-24/h5-14,17,26H,4,15-16,18-19H2,1-3H3,(H,28,31)
InChIKeyBJMRTYUUYBCDRP-UHFFFAOYSA-N
XLogP4.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-Methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 670019
2-(4-Isopropyl-phenyl)-N-(4-methoxy-benzyl)-2-[(2-methoxy-ethyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3210926
4-(Benzyloxy)-N-[(2s,3r)-3-Hydroxy-1-{[(2s)-1-{[(3-Methylthiophen-2-Yl)methyl]amino}-1-Oxo-4-Phenylbutan-2-Yl]amino}-1-Oxobutan-2-Yl]benzamide
CID 52943040
N-(Cyclopentylcarbamoyl-thiophen-2-yl-methyl)-2,2,2-trifluoro-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide
CID 3153715
N-[1-(4-methoxyphenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 6466745
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24818172
4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 3649035
(6R,9R,12S)-6-(1-benzothiophen-3-ylmethyl)-9-propan-2-yl-12-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
CID 11444593
N-[(2R)-1-[[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-ethoxyphenyl)-1-oxopropan-2-yl]-3-methylthiophene-2-carboxamide
CID 71499201
(2S)-2-{[(2S)-2-({N-[(2,4-dimethoxyphenyl)methyl]glycyl}amino)-2-(thiophen-2-yl)acetyl]amino}-N-methyl-4-phenylbutanamide
CID 165180701
2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2124830
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl]benzamide
CID 2649382

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 3210928) is 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide is CCc1ccc(C(C(=O)NCc2ccc(OC)cc2)N(CCOC)C(=O)Cc2cccs2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is BJMRTYUUYBCDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-4-20-7-11-22(12-8-20)26(27(31)28-19-21-9-13-23(33-3)14-10-21)29(15-16-32-2)25(30)18-24-6-5-17-34-24/h5-14,17,26H,4,15-16,18-19H2,1-3H3,(H,28,31).
What are the key properties of 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 480.63 g/mol, XLogP of 4.39, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-[2-methoxyethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3210928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).