methyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate

C15H15NO4S — CID 771052

IUPACmethyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate
SMILESCCOc1ccccc1C(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C15H15NO4S/c1-3-20-12-7-5-4-6-10(12)14(17)16-11-8-9-21-13(11)15(18)19-2/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyMJMKZIZKIDMUSO-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.19
Rot. Bonds5

About methyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate

methyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate (PubChem CID 771052) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate
PubChem CID771052
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namemethyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate
SMILESCCOc1ccccc1C(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C15H15NO4S/c1-3-20-12-7-5-4-6-10(12)14(17)16-11-8-9-21-13(11)15(18)19-2/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyMJMKZIZKIDMUSO-UHFFFAOYSA-N
XLogP3.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-Phenoxybenzoyl)amino]-2-thiophenecarboxylic acid
CID 3439320
Methyl 3-{[(3-methylphenoxy)acetyl]amino}-2-thiophenecarboxylate
CID 1266472
Ethyl 3-acetamido-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 793387
3-[[(4-Methoxyphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 844198
Methyl 3-[(3,5-dimethoxybenzoyl)amino]-2-thiophenecarboxylate
CID 5162900
Methyl 3-(benzoylamino)-2-thiophenecarboxylate
CID 738341
Methyl 3-(2-(4-methoxyphenyl)acetamido)thiophene-2-carboxylate
CID 897877
3-[(2,6-Difluorobenzoyl)amino]-5-(4-ethoxyphenyl)thiophene-2-carboxylic acid
CID 23602075
Ethyl 5-ethyl-2-{[(2-methylphenoxy)acetyl]amino}-3-thiophenecarboxylate
CID 776596
Methyl 3-({[4-(methoxycarbonyl)phenoxy]acetyl}amino)-2-thiophenecarboxylate
CID 972269
N-(3-(2-methoxybenzamido)phenyl)thiophene-2-carboxamide
CID 1072992
Methyl 3-(4-methoxybenzamido)-5-phenylthiophene-2-carboxylate
CID 2329324

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate (CID 771052) is methyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate is CCOc1ccccc1C(=O)Nc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is MJMKZIZKIDMUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-3-20-12-7-5-4-6-10(12)14(17)16-11-8-9-21-13(11)15(18)19-2/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of methyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate?
methyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxybenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 771052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).