ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate

C20H24N2O6S — CID 56542389

IUPACethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CNC(C)(COc1ccccc1)C(=O)OC
InChIInChI=1S/C20H24N2O6S/c1-4-27-18(24)15-10-11-29-17(15)22-16(23)12-21-20(2,19(25)26-3)13-28-14-8-6-5-7-9-14/h5-11,21H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyWPNBZMHQRLAAJY-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.46
Rot. Bonds10

About ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate

ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate (PubChem CID 56542389) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate
PubChem CID56542389
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Nameethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)CNC(C)(COc1ccccc1)C(=O)OC
InChIInChI=1S/C20H24N2O6S/c1-4-27-18(24)15-10-11-29-17(15)22-16(23)12-21-20(2,19(25)26-3)13-28-14-8-6-5-7-9-14/h5-11,21H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyWPNBZMHQRLAAJY-UHFFFAOYSA-N
XLogP2.46
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
CID 56542171
ethyl 2-[[2-(N-ethylanilino)acetyl]amino]thiophene-3-carboxylate
CID 60512305
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501
ethyl 2-[(2-methoxybenzoyl)amino]thiophene-3-carboxylate
CID 7164081
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-3-carboxylate
CID 41428664
methyl 2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 59781241
methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167057
ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 7597005
2-[(2-phenoxyacetyl)amino]thiophene-3-carboxamide
CID 1246150
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate (CID 56542389) is ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)CNC(C)(COc1ccccc1)C(=O)OC.
What is the InChIKey of ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is WPNBZMHQRLAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-4-27-18(24)15-10-11-29-17(15)22-16(23)12-21-20(2,19(25)26-3)13-28-14-8-6-5-7-9-14/h5-11,21H,4,12-13H2,1-3H3,(H,22,23).
What are the key properties of ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate?
ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 420.49 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(1-methoxy-2-methyl-1-oxo-3-phenoxypropan-2-yl)amino]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 56542389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).