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

C22H26N2O7S — CID 24980276

IUPACethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CCOc2ccccc2C)sc(C(=O)NC)c1C
InChIInChI=1S/C22H26N2O7S/c1-5-29-22(28)18-14(3)19(20(27)23-4)32-21(18)24-16(25)12-31-17(26)10-11-30-15-9-7-6-8-13(15)2/h6-9H,5,10-12H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyGMZLMCLKAJWHRM-UHFFFAOYSA-N
MW462.52 g/mol
LogP2.85
Rot. Bonds10

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

ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate (PubChem CID 24980276) has the molecular formula C22H26N2O7S and a molecular weight of 462.52 g/mol. Its IUPAC name is ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
PubChem CID24980276
Molecular FormulaC22H26N2O7S
Molecular Weight462.52 g/mol
Exact Mass462.15
IUPAC Nameethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CCOc2ccccc2C)sc(C(=O)NC)c1C
InChIInChI=1S/C22H26N2O7S/c1-5-29-22(28)18-14(3)19(20(27)23-4)32-21(18)24-16(25)12-31-17(26)10-11-30-15-9-7-6-8-13(15)2/h6-9H,5,10-12H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyGMZLMCLKAJWHRM-UHFFFAOYSA-N
XLogP2.85
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-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
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
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
Methyl 2-acetamido-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1071060
Ethyl 5-acetyl-4-methyl-2-(2-phenoxyacetamido)thiophene-3-carboxylate
CID 1105822

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate (CID 24980276) is ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)CCOc2ccccc2C)sc(C(=O)NC)c1C.
What is the InChIKey of ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is GMZLMCLKAJWHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S/c1-5-29-22(28)18-14(3)19(20(27)23-4)32-21(18)24-16(25)12-31-17(26)10-11-30-15-9-7-6-8-13(15)2/h6-9H,5,10-12H2,1-4H3,(H,23,27)(H,24,25).
What are the key properties of ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 462.52 g/mol, XLogP of 2.85, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[3-(2-methylphenoxy)propanoyloxy]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 24980276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).