ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate

C23H28N2O7S — CID 24979042

IUPACethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CCOc2ccc(C)cc2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C23H28N2O7S/c1-6-30-23(29)19-15(3)20(22(28)25(4)5)33-21(19)24-17(26)13-32-18(27)11-12-31-16-9-7-14(2)8-10-16/h7-10H,6,11-13H2,1-5H3,(H,24,26)
InChIKeyHVGMBVILHJAEKW-UHFFFAOYSA-N
MW476.55 g/mol
LogP3.19
Rot. Bonds10

About ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate

ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate (PubChem CID 24979042) has the molecular formula C23H28N2O7S and a molecular weight of 476.55 g/mol. Its IUPAC name is ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
PubChem CID24979042
Molecular FormulaC23H28N2O7S
Molecular Weight476.55 g/mol
Exact Mass476.16
IUPAC Nameethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CCOc2ccc(C)cc2)sc(C(=O)N(C)C)c1C
InChIInChI=1S/C23H28N2O7S/c1-6-30-23(29)19-15(3)20(22(28)25(4)5)33-21(19)24-17(26)13-32-18(27)11-12-31-16-9-7-14(2)8-10-16/h7-10H,6,11-13H2,1-5H3,(H,24,26)
InChIKeyHVGMBVILHJAEKW-UHFFFAOYSA-N
XLogP3.19
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate
CID 2603958
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 4786402
Methyl 5-[(dimethylamino)carbonyl]-2-(2-furoylamino)-4-methyl-3-thiophenecarboxylate
CID 903699
ethyl 5-[(diethylamino)carbonyl]-4-methyl-2-[(9H-xanthen-9-ylcarbonyl)amino]-3-thiophenecarboxylate
CID 1010754
methyl 2-{[(4-propylphenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 1743511
Ethyl 5-amino-4-((2-methoxyphenyl)carbamoyl)-3-methylthiophene-2-carboxylate
CID 828966
Ethyl 5,5,7,7-tetramethyl-2-[(2-phenoxyacetyl)amino]-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-3-carboxylate
CID 2314843
Ethyl 2-amino-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 709464
2-[(Furan-2-carbonyl)-amino]-4-methyl-5-(pyrrolidine-1-carbonyl)-thiophene-3-carboxylic acid methyl ester
CID 644777
Ethyl 5-ethyl-2-{[(2-methylphenoxy)acetyl]amino}-3-thiophenecarboxylate
CID 776596
Ethyl 2-{[(2-isopropyl-5-methylphenoxy)acetyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 978678
Methyl 2-{[(4-isopropylphenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1051175

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate (CID 24979042) is ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)CCOc2ccc(C)cc2)sc(C(=O)N(C)C)c1C.
What is the InChIKey of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is HVGMBVILHJAEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O7S/c1-6-30-23(29)19-15(3)20(22(28)25(4)5)33-21(19)24-17(26)13-32-18(27)11-12-31-16-9-7-14(2)8-10-16/h7-10H,6,11-13H2,1-5H3,(H,24,26).
What are the key properties of ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 476.55 g/mol, XLogP of 3.19, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[3-(4-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 24979042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).