2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide

C13H12N2O3S — CID 1246150

IUPAC2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)COc1ccccc1
InChIInChI=1S/C13H12N2O3S/c14-12(17)10-6-7-19-13(10)15-11(16)8-18-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,17)(H,15,16)
InChIKeySWAFHENUJXWEAO-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.86
Rot. Bonds5

About 2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide

2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide (PubChem CID 1246150) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
PubChem CID1246150
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)COc1ccccc1
InChIInChI=1S/C13H12N2O3S/c14-12(17)10-6-7-19-13(10)15-11(16)8-18-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,17)(H,15,16)
InChIKeySWAFHENUJXWEAO-UHFFFAOYSA-N
XLogP1.86
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-phenoxybutanoate
CID 3905587
2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 2126171
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 59781241
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554569
2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43357234
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587001
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 2608578
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2521866
2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43171472
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704814
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983006

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide (CID 1246150) is 2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)COc1ccccc1.
What is the InChIKey of 2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide?
The InChIKey is SWAFHENUJXWEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c14-12(17)10-6-7-19-13(10)15-11(16)8-18-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,17)(H,15,16).
What are the key properties of 2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide?
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 1246150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).