2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C28H28N2O4S — CID 3210875

IUPAC2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccco2)N(C(=O)Cc2cccs2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C28H28N2O4S/c1-19-8-9-20(2)24(16-19)30(26(31)17-23-6-5-15-35-23)27(25-7-4-14-34-25)28(32)29-18-21-10-12-22(33-3)13-11-21/h4-16,27H,17-18H2,1-3H3,(H,29,32)
InChIKeyOURIGISQGJZMOE-UHFFFAOYSA-N
MW488.61 g/mol
LogP5.60
Rot. Bonds9

About 2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 3210875) has the molecular formula C28H28N2O4S and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID3210875
Molecular FormulaC28H28N2O4S
Molecular Weight488.61 g/mol
Exact Mass488.18
IUPAC Name2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccco2)N(C(=O)Cc2cccs2)c2cc(C)ccc2C)cc1
InChIInChI=1S/C28H28N2O4S/c1-19-8-9-20(2)24(16-19)30(26(31)17-23-6-5-15-35-23)27(25-7-4-14-34-25)28(32)29-18-21-10-12-22(33-3)13-11-21/h4-16,27H,17-18H2,1-3H3,(H,29,32)
InChIKeyOURIGISQGJZMOE-UHFFFAOYSA-N
XLogP5.60
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3210903
(2R)-2-(furan-2-yl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1449980
2-[(4-fluorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 3210871
4-amino-5-N-(2,5-dimethylphenyl)-5-N-[(1R)-1-(furan-2-yl)-2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide
CID 98097337
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1450044
N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3210889
(2R)-N-benzyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 1434318
2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]-N-[(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 3210901
N-benzyl-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3201947
(2R)-N-[(4-methoxyphenyl)methyl]-2-thiophen-2-yl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1450014
(2R)-N-benzyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 1434321
(2R)-N-benzyl-2-(4-fluorophenyl)-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434456

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 3210875) is 2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)C(c2ccco2)N(C(=O)Cc2cccs2)c2cc(C)ccc2C)cc1.
What is the InChIKey of 2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is OURIGISQGJZMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4S/c1-19-8-9-20(2)24(16-19)30(26(31)17-23-6-5-15-35-23)27(25-7-4-14-34-25)28(32)29-18-21-10-12-22(33-3)13-11-21/h4-16,27H,17-18H2,1-3H3,(H,29,32).
What are the key properties of 2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 488.61 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3210875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).