2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide

C15H14N2O4S — CID 2126171

IUPAC2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C15H14N2O4S/c1-9(18)10-2-4-11(5-3-10)21-8-13(19)17-15-12(14(16)20)6-7-22-15/h2-7H,8H2,1H3,(H2,16,20)(H,17,19)
InChIKeyMESZAUUDKJMRNN-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.07
Rot. Bonds6

About 2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide

2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide (PubChem CID 2126171) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide
PubChem CID2126171
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide
SMILESCC(=O)c1ccc(OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C15H14N2O4S/c1-9(18)10-2-4-11(5-3-10)21-8-13(19)17-15-12(14(16)20)6-7-22-15/h2-7H,8H2,1H3,(H2,16,20)(H,17,19)
InChIKeyMESZAUUDKJMRNN-UHFFFAOYSA-N
XLogP2.07
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2521866
2-[(4-acetylphenyl)carbamoylamino]thiophene-3-carboxamide
CID 61347220
2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43357234
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate
CID 3513023
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 59781241
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-phenoxybutanoate
CID 3905587
ethyl 2-[[2-(4-acetylphenoxy)acetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7763780
[4-[(3-carbamoylthiophen-2-yl)carbamoyl]phenyl]methyl acetate
CID 7996489
2-[[2-(2,4-dibromophenoxy)acetyl]amino]thiophene-3-carboxamide
CID 2475511
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 26767677

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide (CID 2126171) is 2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide is CC(=O)c1ccc(OCC(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of 2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is MESZAUUDKJMRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-9(18)10-2-4-11(5-3-10)21-8-13(19)17-15-12(14(16)20)6-7-22-15/h2-7H,8H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of 2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2126171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).