methyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate

C16H17NO6S — CID 1220270

IUPACmethyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H17NO6S/c1-20-11-7-9(8-12(21-2)13(11)22-3)15(18)17-10-5-6-24-14(10)16(19)23-4/h5-8H,1-4H3,(H,17,18)
InChIKeyFPBXZYZCAWGWGK-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.81
Rot. Bonds6

About methyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate

methyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate (PubChem CID 1220270) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is methyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate
PubChem CID1220270
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Namemethyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H17NO6S/c1-20-11-7-9(8-12(21-2)13(11)22-3)15(18)17-10-5-6-24-14(10)16(19)23-4/h5-8H,1-4H3,(H,17,18)
InChIKeyFPBXZYZCAWGWGK-UHFFFAOYSA-N
XLogP2.81
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate (CID 1220270) is methyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is FPBXZYZCAWGWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-20-11-7-9(8-12(21-2)13(11)22-3)15(18)17-10-5-6-24-14(10)16(19)23-4/h5-8H,1-4H3,(H,17,18).
What are the key properties of methyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate?
methyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 351.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 1220270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).