N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide

C13H12N2O3S — CID 46529043

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C13H12N2O3S/c14-12(16)8-18-10-4-1-3-9(7-10)15-13(17)11-5-2-6-19-11/h1-7H,8H2,(H2,14,16)(H,15,17)
InChIKeyUPDWZSJOJYUUBQ-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.86
Rot. Bonds5

About N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide

N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 46529043) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide
PubChem CID46529043
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide
SMILESNC(=O)COc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C13H12N2O3S/c14-12(16)8-18-10-4-1-3-9(7-10)15-13(17)11-5-2-6-19-11/h1-7H,8H2,(H2,14,16)(H,15,17)
InChIKeyUPDWZSJOJYUUBQ-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

ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate
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N-[3-(2-amino-2-oxoethoxy)phenyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625856
N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]thiophene-2-carboxamide
CID 41444816
N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-oxobutanamide
CID 61251264
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
1-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119702073
N-[2-chloro-5-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide (CID 46529043) is N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide is NC(=O)COc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is UPDWZSJOJYUUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c14-12(16)8-18-10-4-1-3-9(7-10)15-13(17)11-5-2-6-19-11/h1-7H,8H2,(H2,14,16)(H,15,17).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-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 N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46529043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).