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

C16H17NO6S — CID 66637988

IUPACmethyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate
SMILESCOC(=O)c1cc(CO)sc1NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H17NO6S/c1-21-12-5-4-9(6-13(12)22-2)14(19)17-15-11(16(20)23-3)7-10(8-18)24-15/h4-7,18H,8H2,1-3H3,(H,17,19)
InChIKeyWPZMGFXPXDDTSA-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.30
Rot. Bonds6

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

methyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate (PubChem CID 66637988) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is methyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate
PubChem CID66637988
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Namemethyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate
SMILESCOC(=O)c1cc(CO)sc1NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H17NO6S/c1-21-12-5-4-9(6-13(12)22-2)14(19)17-15-11(16(20)23-3)7-10(8-18)24-15/h4-7,18H,8H2,1-3H3,(H,17,19)
InChIKeyWPZMGFXPXDDTSA-UHFFFAOYSA-N
XLogP2.30
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-ethyl-2-[(4-phenylbenzoyl)amino]thiophene-3-carboxylate
CID 1014668
methyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 874617
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1355426
2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857829
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 841038
4-O-ethyl 2-O-propan-2-yl 5-[(3,4-dimethoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 19182080
methyl 4-[[3-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-ethylthiophen-2-yl]carbamoyl]benzoate
CID 22133090
methyl 5-benzyl-2-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]thiophene-3-carboxylate
CID 19680194
N-(3-cyanothiophen-2-yl)-3,4-dimethoxybenzamide
CID 7164206
N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-4-methoxybenzamide
CID 2814381
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate (CID 66637988) is methyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate is COC(=O)c1cc(CO)sc1NC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate?
The InChIKey is WPZMGFXPXDDTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-21-12-5-4-9(6-13(12)22-2)14(19)17-15-11(16(20)23-3)7-10(8-18)24-15/h4-7,18H,8H2,1-3H3,(H,17,19).
What are the key properties of methyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate?
methyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate has a molecular weight of 351.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,4-dimethoxybenzoyl)amino]-5-(hydroxymethyl)thiophene-3-carboxylate is sourced from PubChem (CID 66637988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).