methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate

C18H20N2O5S — CID 18158808

IUPACmethyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)CNC(=O)c2ccc(C)s2)ccc1OC
InChIInChI=1S/C18H20N2O5S/c1-11-4-7-15(26-11)17(22)20-10-16(21)19-9-12-5-6-14(24-2)13(8-12)18(23)25-3/h4-8H,9-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyFBQRNTFTEZNWFT-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.90
Rot. Bonds7

About methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate

methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate (PubChem CID 18158808) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate
PubChem CID18158808
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Namemethyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1cc(CNC(=O)CNC(=O)c2ccc(C)s2)ccc1OC
InChIInChI=1S/C18H20N2O5S/c1-11-4-7-15(26-11)17(22)20-10-16(21)19-9-12-5-6-14(24-2)13(8-12)18(23)25-3/h4-8H,9-10H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyFBQRNTFTEZNWFT-UHFFFAOYSA-N
XLogP1.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate with MolForge

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Related Compounds

methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate
CID 18113017
methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
CID 119726463
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17476660
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114779
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
N-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 36542894
methyl 5-[[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]methyl]-2-methoxybenzoate
CID 78833533
methyl 5-[[[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]methyl]-2-methoxybenzoate
CID 27819912
methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
methyl 2-methoxy-5-[[[2-(2-nitrophenyl)acetyl]amino]methyl]benzoate
CID 27817613
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18285612

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate (CID 18158808) is methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate is COC(=O)c1cc(CNC(=O)CNC(=O)c2ccc(C)s2)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate?
The InChIKey is FBQRNTFTEZNWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-11-4-7-15(26-11)17(22)20-10-16(21)19-9-12-5-6-14(24-2)13(8-12)18(23)25-3/h4-8H,9-10H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate?
methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate has a molecular weight of 376.43 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate is sourced from PubChem (CID 18158808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).