(2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate

C14H12N2O4S — CID 9452238

IUPAC(2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate
SMILESNC(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1
InChIInChI=1S/C14H12N2O4S/c15-12(17)7-20-14(19)10-3-1-2-4-11(10)16-13(18)9-5-6-21-8-9/h1-6,8H,7H2,(H2,15,17)(H,16,18)
InChIKeyBTRUHADHZMXJPJ-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.64
Rot. Bonds5

About (2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate

(2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate (PubChem CID 9452238) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate
PubChem CID9452238
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name(2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate
SMILESNC(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1
InChIInChI=1S/C14H12N2O4S/c15-12(17)7-20-14(19)10-3-1-2-4-11(10)16-13(18)9-5-6-21-8-9/h1-6,8H,7H2,(H2,15,17)(H,16,18)
InChIKeyBTRUHADHZMXJPJ-UHFFFAOYSA-N
XLogP1.64
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(thiophene-3-carbonylamino)benzoate
CID 55471409
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-benzamidobenzoate
CID 7835723
N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 60553572
N-[2-methyl-3-(methylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 131905924
N-[2-(ethylaminomethyl)phenyl]thiophene-3-carboxamide
CID 43601345
N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide
CID 60555404
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 39652535
[2-(2-fluoroanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 4576263
(2-amino-2-oxoethyl) 2-iodobenzoate
CID 2509670
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]thiophene-3-carboxamide;hydrochloride
CID 119654505
N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55455576
N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 17464042

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate (CID 9452238) is (2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate is NC(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate?
The InChIKey is BTRUHADHZMXJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c15-12(17)7-20-14(19)10-3-1-2-4-11(10)16-13(18)9-5-6-21-8-9/h1-6,8H,7H2,(H2,15,17)(H,16,18).
What are the key properties of (2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate?
(2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate has a molecular weight of 304.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(thiophene-3-carbonylamino)benzoate is sourced from PubChem (CID 9452238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).