ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate

C15H13Cl2NO3S — CID 7942302

IUPACethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C15H13Cl2NO3S/c1-3-21-15(20)13-8(2)6-12(22-13)18-14(19)9-4-5-10(16)11(17)7-9/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyPHBMFURKLBIEJQ-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.79
Rot. Bonds4

About ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate

ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate (PubChem CID 7942302) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
PubChem CID7942302
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Nameethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C
InChIInChI=1S/C15H13Cl2NO3S/c1-3-21-15(20)13-8(2)6-12(22-13)18-14(19)9-4-5-10(16)11(17)7-9/h4-7H,3H2,1-2H3,(H,18,19)
InChIKeyPHBMFURKLBIEJQ-UHFFFAOYSA-N
XLogP4.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-methyl-5-[(4-propan-2-ylbenzoyl)amino]thiophene-2-carboxylate
CID 2353845
ethyl 5-[(6-methoxypyridine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 134015968
ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate
CID 43406104
ethyl 5-[[4-(difluoromethoxy)benzoyl]amino]-3-methylthiophene-2-carboxylate
CID 4813440
ethyl 5-[(5-chlorofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 43406103
ethyl 5-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 55600880
ethyl 5-[(3,5-dinitrobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 55331730
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 5-[[2-(2-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 2670401
ethyl 5-[(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 55597699
ethyl 3-methyl-5-[(4-methylthiadiazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 43406418

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate (CID 7942302) is ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C.
What is the InChIKey of ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The InChIKey is PHBMFURKLBIEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c1-3-21-15(20)13-8(2)6-12(22-13)18-14(19)9-4-5-10(16)11(17)7-9/h4-7H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate?
ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate has a molecular weight of 358.25 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 7942302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).