[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

C19H19NO4S — CID 8849127

IUPAC[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1ccsc1CN(C)C(=O)COC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C19H19NO4S/c1-12-8-9-25-16(12)10-20(3)17(21)11-23-19(22)18-13(2)14-6-4-5-7-15(14)24-18/h4-9H,10-11H2,1-3H3
InChIKeyLMMIOQMZTMEKEF-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.93
Rot. Bonds5

About [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate

[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (PubChem CID 8849127) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
PubChem CID8849127
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
SMILESCc1ccsc1CN(C)C(=O)COC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C19H19NO4S/c1-12-8-9-25-16(12)10-20(3)17(21)11-23-19(22)18-13(2)14-6-4-5-7-15(14)24-18/h4-9H,10-11H2,1-3H3
InChIKeyLMMIOQMZTMEKEF-UHFFFAOYSA-N
XLogP3.93
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551740
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 8952610
[2-(methylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2410420
3-(3-methyl-1-benzofuran-2-carbonyl)oxypropyl 3-methyl-1-benzofuran-2-carboxylate
CID 7571204
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551737
[2-(2-methylanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653255
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
[2-oxo-2-(propylamino)ethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2666973
2-(2-acetamidophenoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 9017979
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2479836
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8567500

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate (CID 8849127) is [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is Cc1ccsc1CN(C)C(=O)COC(=O)c1oc2ccccc2c1C.
What is the InChIKey of [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is LMMIOQMZTMEKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-12-8-9-25-16(12)10-20(3)17(21)11-23-19(22)18-13(2)14-6-4-5-7-15(14)24-18/h4-9H,10-11H2,1-3H3.
What are the key properties of [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate?
[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 357.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 8849127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).