ethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate

C15H14ClNO3S — CID 58903056

IUPACethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)c2ccsc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO3S/c1-2-20-14(18)8-10-3-4-13(12(16)7-10)17-15(19)11-5-6-21-9-11/h3-7,9H,2,8H2,1H3,(H,17,19)
InChIKeyXIVYEJKGGXIWHL-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.76
Rot. Bonds5

About ethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate

ethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate (PubChem CID 58903056) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is ethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate
PubChem CID58903056
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Nameethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NC(=O)c2ccsc2)c(Cl)c1
InChIInChI=1S/C15H14ClNO3S/c1-2-20-14(18)8-10-3-4-13(12(16)7-10)17-15(19)11-5-6-21-9-11/h3-7,9H,2,8H2,1H3,(H,17,19)
InChIKeyXIVYEJKGGXIWHL-UHFFFAOYSA-N
XLogP3.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)thiophene-3-carboxamide
CID 30273412
N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide
CID 81003337
N-(5-amino-2-methylphenyl)thiophene-3-carboxamide
CID 16775511
N-(4-chloro-2,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 17401848
ethyl 2-(4-acetyl-3-chlorophenyl)acetate
CID 121231968
N-(5-acetyl-2-chlorophenyl)thiophene-3-carboxamide
CID 84587481
ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
ethyl 3-methyl-5-(thiophene-3-carbonylamino)thiophene-2-carboxylate
CID 43406104
ethyl 2-[3-chloro-4-(difluoromethoxy)phenyl]acetate
CID 171028412
N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
CID 43601345
ethyl 2-[3-chloro-4-(trifluoromethoxy)phenyl]acetate
CID 134632922
N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-3-carboxamide
CID 114302940

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate?
The IUPAC name of ethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate (CID 58903056) is ethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate?
The canonical SMILES for ethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate is CCOC(=O)Cc1ccc(NC(=O)c2ccsc2)c(Cl)c1.
What is the InChIKey of ethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate?
The InChIKey is XIVYEJKGGXIWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-2-20-14(18)8-10-3-4-13(12(16)7-10)17-15(19)11-5-6-21-9-11/h3-7,9H,2,8H2,1H3,(H,17,19).
What are the key properties of ethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate?
ethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate has a molecular weight of 323.80 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-chloro-4-(thiophene-3-carbonylamino)phenyl]acetate is sourced from PubChem (CID 58903056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).