ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate

C22H24N2O6S3 — CID 2381426

IUPACethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)sc(C)c1C
InChIInChI=1S/C22H24N2O6S3/c1-5-29-22(26)20-14(2)15(3)32-21(20)23-18(25)13-30-17-10-8-16(9-11-17)24(4)33(27,28)19-7-6-12-31-19/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyGNQNMZLRKDFKMN-UHFFFAOYSA-N
MW508.64 g/mol
LogP4.45
Rot. Bonds9

About ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate (PubChem CID 2381426) has the molecular formula C22H24N2O6S3 and a molecular weight of 508.64 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate
PubChem CID2381426
Molecular FormulaC22H24N2O6S3
Molecular Weight508.64 g/mol
Exact Mass508.08
IUPAC Nameethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)sc(C)c1C
InChIInChI=1S/C22H24N2O6S3/c1-5-29-22(26)20-14(2)15(3)32-21(20)23-18(25)13-30-17-10-8-16(9-11-17)24(4)33(27,28)19-7-6-12-31-19/h6-12H,5,13H2,1-4H3,(H,23,25)
InChIKeyGNQNMZLRKDFKMN-UHFFFAOYSA-N
XLogP4.45
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.64
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 31527622
N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
N-(3,5-dimethylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545390
N-[4-(carbamoylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 33152745
ethyl 2-[[2-(4-ethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 28692626
N-(4-fluorophenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16547796
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 2989771
ethyl 2-[[2-(4-formylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 23410335
ethyl 4,5-dimethyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 8604745
N-(4-bromo-3-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16545387
N-(2-chloro-4-methylphenyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 16552072

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate (CID 2381426) is ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is GNQNMZLRKDFKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S3/c1-5-29-22(26)20-14(2)15(3)32-21(20)23-18(25)13-30-17-10-8-16(9-11-17)24(4)33(27,28)19-7-6-12-31-19/h6-12H,5,13H2,1-4H3,(H,23,25).
What are the key properties of ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 508.64 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-[[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 2381426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).