N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide

C26H26N2O4S2 — CID 3210861

IUPACN-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccc(C)o2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C26H26N2O4S2/c1-18-7-12-23(32-18)25(26(30)27-16-19-8-10-20(31-2)11-9-19)28(17-22-6-4-14-34-22)24(29)15-21-5-3-13-33-21/h3-14,25H,15-17H2,1-2H3,(H,27,30)
InChIKeyAQUBBSASJGSCAV-UHFFFAOYSA-N
MW494.64 g/mol
LogP5.35
Rot. Bonds10

About N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide

N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 3210861) has the molecular formula C26H26N2O4S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
PubChem CID3210861
Molecular FormulaC26H26N2O4S2
Molecular Weight494.64 g/mol
Exact Mass494.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
SMILESCOc1ccc(CNC(=O)C(c2ccc(C)o2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1
InChIInChI=1S/C26H26N2O4S2/c1-18-7-12-23(32-18)25(26(30)27-16-19-8-10-20(31-2)11-9-19)28(17-22-6-4-14-34-22)24(29)15-21-5-3-13-33-21/h3-14,25H,15-17H2,1-2H3,(H,27,30)
InChIKeyAQUBBSASJGSCAV-UHFFFAOYSA-N
XLogP5.35
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(2-thienyl)vinyl]benzamide
CID 2177140
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 16293454
N-Cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 648156
2-Furan-2-yl-N-(4-methoxy-benzyl)-2-[(2-thiophen-2-yl-acetyl)-thiophen-2-ylmethyl-amino]-acetamide
CID 656062
N-(3-((Furan-2-ylmethyl)amino)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)-4-methylbenzamide
CID 2179984
N-[1-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 2998976
N-Cyclopentyl-2-[(3,5-dimethyl-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-2-(5-methyl-furan-2-yl)-acetamide
CID 3202469
N-Cyclopentyl-2-[(2,3-dimethyl-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-2-(5-methyl-furan-2-yl)-acetamide
CID 3202475
N-Cyclopentyl-2-[furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-2-phenyl-acetamide
CID 3202885
2-[Benzyl-(2-thiophen-2-yl-acetyl)-amino]-2-furan-2-yl-N-(4-methoxy-benzyl)-acetamide
CID 3210867
2-[Furan-2-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-N-(4-methoxy-benzyl)-2-thiophen-2-yl-acetamide
CID 3210888
N-cyclopentyl-1-[(2-furylmethyl)(thien-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3236839

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide (CID 3210861) is N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide is COc1ccc(CNC(=O)C(c2ccc(C)o2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is AQUBBSASJGSCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S2/c1-18-7-12-23(32-18)25(26(30)27-16-19-8-10-20(31-2)11-9-19)28(17-22-6-4-14-34-22)24(29)15-21-5-3-13-33-21/h3-14,25H,15-17H2,1-2H3,(H,27,30).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide?
N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 494.64 g/mol, XLogP of 5.35, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 3210861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).