methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate

C17H19NO4S — CID 874617

IUPACmethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCOc1cccc(C(=O)Nc2sc(CC)cc2C(=O)OC)c1
InChIInChI=1S/C17H19NO4S/c1-4-13-10-14(17(20)21-3)16(23-13)18-15(19)11-7-6-8-12(9-11)22-5-2/h6-10H,4-5H2,1-3H3,(H,18,19)
InChIKeyHSOLPTQUMKBNRD-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.75
Rot. Bonds6

About methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate

methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate (PubChem CID 874617) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
PubChem CID874617
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Namemethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
SMILESCCOc1cccc(C(=O)Nc2sc(CC)cc2C(=O)OC)c1
InChIInChI=1S/C17H19NO4S/c1-4-13-10-14(17(20)21-3)16(23-13)18-15(19)11-7-6-8-12(9-11)22-5-2/h6-10H,4-5H2,1-3H3,(H,18,19)
InChIKeyHSOLPTQUMKBNRD-UHFFFAOYSA-N
XLogP3.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 874629
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
ethyl 5-ethyl-2-[[3-(methoxymethyl)benzoyl]amino]thiophene-3-carboxylate
CID 33146285
methyl 3-ethoxybenzoate
CID 3267781
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 4957428
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
CID 2970676
methyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate
CID 66637988
ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326
methyl 2-[(3-ethoxybenzoyl)carbamothioylamino]benzoate
CID 4957681
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate (CID 874617) is methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate is CCOc1cccc(C(=O)Nc2sc(CC)cc2C(=O)OC)c1.
What is the InChIKey of methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate?
The InChIKey is HSOLPTQUMKBNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-4-13-10-14(17(20)21-3)16(23-13)18-15(19)11-7-6-8-12(9-11)22-5-2/h6-10H,4-5H2,1-3H3,(H,18,19).
What are the key properties of methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate?
methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate has a molecular weight of 333.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate is sourced from PubChem (CID 874617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).