methyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate

C16H15NO6S — CID 972269

IUPACmethyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(OCC(=O)Nc2ccsc2C(=O)OC)cc1
InChIInChI=1S/C16H15NO6S/c1-21-15(19)10-3-5-11(6-4-10)23-9-13(18)17-12-7-8-24-14(12)16(20)22-2/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyJGXHIIRVXKOKSV-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.34
Rot. Bonds6

About methyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate (PubChem CID 972269) has the molecular formula C16H15NO6S and a molecular weight of 349.36 g/mol. Its IUPAC name is methyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate
PubChem CID972269
Molecular FormulaC16H15NO6S
Molecular Weight349.36 g/mol
Exact Mass349.06
IUPAC Namemethyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(OCC(=O)Nc2ccsc2C(=O)OC)cc1
InChIInChI=1S/C16H15NO6S/c1-21-15(19)10-3-5-11(6-4-10)23-9-13(18)17-12-7-8-24-14(12)16(20)22-2/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyJGXHIIRVXKOKSV-UHFFFAOYSA-N
XLogP2.34
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 3-{[(3-methylphenoxy)acetyl]amino}-2-thiophenecarboxylate
CID 1266472
Methyl 3-[(2-ethoxybenzoyl)amino]-2-thiophenecarboxylate
CID 771052
Ethyl 3-acetamido-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 793387
3-[[(4-Methoxyphenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 844198
Methyl 3-(2-(4-methoxyphenyl)acetamido)thiophene-2-carboxylate
CID 897877
Methyl 3-{[2-(4-methylphenoxy)acetyl]amino}-2-thiophenecarboxylate
CID 3815224
3-(Carboxyformamido)-5-(4-(carboxymethoxy)phenyl)thiophene-2-carboxylic acid
CID 11111298
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 2620779
Methyl 3-[(2,4-dimethoxybenzoyl)amino]-2-thiophenecarboxylate
CID 897602
Methyl 3-[(2-phenoxybutanoyl)amino]-2-thiophenecarboxylate
CID 2931366
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 4785059
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-acetylphenoxy)acetate
CID 4844090

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate (CID 972269) is methyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate is COC(=O)c1ccc(OCC(=O)Nc2ccsc2C(=O)OC)cc1.
What is the InChIKey of methyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is JGXHIIRVXKOKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO6S/c1-21-15(19)10-3-5-11(6-4-10)23-9-13(18)17-12-7-8-24-14(12)16(20)22-2/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of methyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 349.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-methoxycarbonylphenoxy)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 972269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).