(2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate

C16H16N2O6S — CID 2623709

IUPAC(2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
SMILESCOc1cc(NC(=O)c2cccs2)c(C(=O)OCC(N)=O)cc1OC
InChIInChI=1S/C16H16N2O6S/c1-22-11-6-9(16(21)24-8-14(17)19)10(7-12(11)23-2)18-15(20)13-4-3-5-25-13/h3-7H,8H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyMKGMSJNAAPCPCU-UHFFFAOYSA-N
MW364.38 g/mol
LogP1.66
Rot. Bonds7

About (2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate

(2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate (PubChem CID 2623709) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
PubChem CID2623709
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name(2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
SMILESCOc1cc(NC(=O)c2cccs2)c(C(=O)OCC(N)=O)cc1OC
InChIInChI=1S/C16H16N2O6S/c1-22-11-6-9(16(21)24-8-14(17)19)10(7-12(11)23-2)18-15(20)13-4-3-5-25-13/h3-7H,8H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeyMKGMSJNAAPCPCU-UHFFFAOYSA-N
XLogP1.66
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 23849455
[2-(2,4-dibromoanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 23878484
[2-(naphthalen-2-ylamino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 2530909
[2-oxo-2-(4-sulfamoylanilino)ethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 25037754
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 4299184
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 2448127
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 23966770
[2-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 2460043
N-[2-[(2-aminoacetyl)amino]-4,5-dimethoxyphenyl]thiophene-2-carboxamide
CID 39184898
(4-oxo-4-thiophen-2-ylbutyl) 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42990147
N-(2-carbamoyl-3-methoxyphenyl)thiophene-2-carboxamide
CID 177168105
(3,3-dimethyl-2-oxobutyl) 4-chloro-2-(thiophene-2-carbonylamino)benzoate
CID 7879705

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of (2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate (CID 2623709) is (2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for (2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for (2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate is COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(N)=O)cc1OC.
What is the InChIKey of (2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate?
The InChIKey is MKGMSJNAAPCPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-22-11-6-9(16(21)24-8-14(17)19)10(7-12(11)23-2)18-15(20)13-4-3-5-25-13/h3-7H,8H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of (2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate?
(2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate has a molecular weight of 364.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 2623709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).