ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate

C14H12ClNO3S — CID 7166979

IUPACethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO3S/c1-2-19-14(18)11-6-7-20-13(11)16-12(17)9-4-3-5-10(15)8-9/h3-8H,2H2,1H3,(H,16,17)
InChIKeyZXBJYDIEHGAALA-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.83
Rot. Bonds4

About ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate

ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate (PubChem CID 7166979) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate
PubChem CID7166979
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Nameethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClNO3S/c1-2-19-14(18)11-6-7-20-13(11)16-12(17)9-4-3-5-10(15)8-9/h3-8H,2H2,1H3,(H,16,17)
InChIKeyZXBJYDIEHGAALA-UHFFFAOYSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3,5-dichlorobenzoyl)amino]thiophene-3-carboxylate
CID 7166980
ethyl 2-[(3-butoxybenzoyl)amino]thiophene-3-carboxylate
CID 7166948
ethyl 2-[[4-(chloromethyl)benzoyl]amino]thiophene-3-carboxylate
CID 43167895
ethyl 2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 7164073
ethyl 5-chloro-4-[(3-chlorobenzoyl)amino]-2-methoxybenzoate
CID 19226453
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7565713
ethyl N-[(3-chlorobenzoyl)amino]carbamate
CID 7979102
ethyl 2-[(3-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 63616683
ethyl 2-(1-benzofuran-2-carbonylamino)thiophene-3-carboxylate
CID 8718221
ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464988

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate (CID 7166979) is ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate?
The InChIKey is ZXBJYDIEHGAALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-2-19-14(18)11-6-7-20-13(11)16-12(17)9-4-3-5-10(15)8-9/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate?
ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate has a molecular weight of 309.77 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chlorobenzoyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 7166979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).