methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate

C17H17NO5S — CID 18113017

IUPACmethyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(C(C)=O)s2)ccc1OC
InChIInChI=1S/C17H17NO5S/c1-10(19)14-6-7-15(24-14)16(20)18-9-11-4-5-13(22-2)12(8-11)17(21)23-3/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyXJFONBZYHGMYJC-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.68
Rot. Bonds6

About methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate

methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate (PubChem CID 18113017) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate
PubChem CID18113017
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC Namemethyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(C(C)=O)s2)ccc1OC
InChIInChI=1S/C17H17NO5S/c1-10(19)14-6-7-15(24-14)16(20)18-9-11-4-5-13(22-2)12(8-11)17(21)23-3/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyXJFONBZYHGMYJC-UHFFFAOYSA-N
XLogP2.68
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate
CID 18158808
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CID 18113005
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate
CID 51265623
methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
CID 119726463
methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate
CID 35191855
methyl 5-[(but-2-ynoylamino)methyl]-2-methoxybenzoate
CID 146076174
methyl 5-[[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]methyl]-2-methoxybenzoate
CID 78833533
methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate
CID 56545707
methyl 5-[(cyclobutanecarbonylamino)methyl]-2-methoxybenzoate
CID 27817531
methyl 5-[[[2-(difluoromethylsulfanyl)benzoyl]amino]methyl]-2-methoxybenzoate
CID 18189777
methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate
CID 55650630

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate (CID 18113017) is methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate is COC(=O)c1cc(CNC(=O)c2ccc(C(C)=O)s2)ccc1OC.
What is the InChIKey of methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate?
The InChIKey is XJFONBZYHGMYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c1-10(19)14-6-7-15(24-14)16(20)18-9-11-4-5-13(22-2)12(8-11)17(21)23-3/h4-8H,9H2,1-3H3,(H,18,20).
What are the key properties of methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate?
methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate has a molecular weight of 347.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 18113017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).