ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate

C17H17ClN2O5S — CID 7521258

IUPACethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)c(C(N)=O)c1C
InChIInChI=1S/C17H17ClN2O5S/c1-3-24-17(23)14-9(2)13(15(19)22)16(26-14)20-12(21)8-25-11-6-4-10(18)5-7-11/h4-7H,3,8H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyAYUHPWLFVPFECS-UHFFFAOYSA-N
MW396.85 g/mol
LogP3.00
Rot. Bonds7

About ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate

ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 7521258) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
PubChem CID7521258
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC Nameethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)c(C(N)=O)c1C
InChIInChI=1S/C17H17ClN2O5S/c1-3-24-17(23)14-9(2)13(15(19)22)16(26-14)20-12(21)8-25-11-6-4-10(18)5-7-11/h4-7H,3,8H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyAYUHPWLFVPFECS-UHFFFAOYSA-N
XLogP3.00
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-carbamoyl-2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 1000827
diethyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-3-phenylthiophene-2,4-dicarboxylate
CID 126119034
2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 833532
4-O-ethyl 2-O-propan-2-yl 5-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19180816
4-O-ethyl 2-O-methyl 3-methyl-5-[(2-phenoxyacetyl)amino]thiophene-2,4-dicarboxylate
CID 1326259
ethyl 5-acetyl-2-[[2-(4-bromophenoxy)acetyl]amino]-4-methylthiophene-3-carboxylate
CID 1112443
methyl 5-carbamoyl-4-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 4279333
2-O-benzyl 4-O-ethyl 5-[[2-(4-ethylphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 28693867
diethyl 3-methyl-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2,4-dicarboxylate
CID 1112453
ethyl 4-carbamoyl-5-[(2,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 1219793
ethyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 987080
4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1015549

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate (CID 7521258) is ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)c(C(N)=O)c1C.
What is the InChIKey of ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate?
The InChIKey is AYUHPWLFVPFECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c1-3-24-17(23)14-9(2)13(15(19)22)16(26-14)20-12(21)8-25-11-6-4-10(18)5-7-11/h4-7H,3,8H2,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate?
ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 396.85 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 7521258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).