2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate

C19H23N3O5S — CID 2534877

IUPAC2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate
SMILESCOCCOC(=O)c1c(NC(=O)CN(C)c2ccccc2)sc(C(N)=O)c1C
InChIInChI=1S/C19H23N3O5S/c1-12-15(19(25)27-10-9-26-3)18(28-16(12)17(20)24)21-14(23)11-22(2)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H2,20,24)(H,21,23)
InChIKeyWFELJCJFWHORMT-UHFFFAOYSA-N
MW405.48 g/mol
LogP2.03
Rot. Bonds9

About 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate

2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate (PubChem CID 2534877) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate
PubChem CID2534877
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate
SMILESCOCCOC(=O)c1c(NC(=O)CN(C)c2ccccc2)sc(C(N)=O)c1C
InChIInChI=1S/C19H23N3O5S/c1-12-15(19(25)27-10-9-26-3)18(28-16(12)17(20)24)21-14(23)11-22(2)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H2,20,24)(H,21,23)
InChIKeyWFELJCJFWHORMT-UHFFFAOYSA-N
XLogP2.03
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-amino-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 698230
Ethyl 4,5-dimethyl-2-[(piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 691671
6-methyl-2-[[(4-methylanilino)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
CID 2810963
Methyl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841141
methyl 2-(acetylamino)-4-methyl-5-(N-phenylcarbamoyl)thiophene-3-carboxylate
CID 846267
Methyl 2-amino-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate
CID 2231873
Ethyl 4,5-dimethyl-2-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]thiophene-3-carboxylate
CID 2879510
methyl 4,5-dimethyl-2-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]thiophene-3-carboxylate
CID 2896625
Methyl 5-carbamoyl-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate
CID 2971587
Methyl 4-methyl-2-(2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamido)thiophene-3-carboxylate
CID 53322984
Methyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(phenylcarbamoyl)thiophene-3-carboxylate
CID 1023160
3-Thiophenecarboxylic acid, 2-((4-morpholinylacetyl)amino)-4-phenyl-, ethyl ester
CID 100701

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate (CID 2534877) is 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate is COCCOC(=O)c1c(NC(=O)CN(C)c2ccccc2)sc(C(N)=O)c1C.
What is the InChIKey of 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is WFELJCJFWHORMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-12-15(19(25)27-10-9-26-3)18(28-16(12)17(20)24)21-14(23)11-22(2)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H2,20,24)(H,21,23).
What are the key properties of 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate?
2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 405.48 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-carbamoyl-4-methyl-2-[[2-(N-methylanilino)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 2534877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).