methyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate

C16H18N2O4S2 — CID 1189893

IUPACmethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCOCC1
InChIInChI=1S/C16H18N2O4S2/c1-21-16(20)14-11(12-3-2-8-23-12)10-24-15(14)17-13(19)9-18-4-6-22-7-5-18/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)
InChIKeyJQZXVCZYFOHPQK-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.53
Rot. Bonds5

About methyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate

methyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate (PubChem CID 1189893) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is methyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
PubChem CID1189893
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Namemethyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCOCC1
InChIInChI=1S/C16H18N2O4S2/c1-21-16(20)14-11(12-3-2-8-23-12)10-24-15(14)17-13(19)9-18-4-6-22-7-5-18/h2-3,8,10H,4-7,9H2,1H3,(H,17,19)
InChIKeyJQZXVCZYFOHPQK-UHFFFAOYSA-N
XLogP2.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate (CID 1189893) is methyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate is COC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CCOCC1.
What is the InChIKey of methyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
The InChIKey is JQZXVCZYFOHPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-21-16(20)14-11(12-3-2-8-23-12)10-24-15(14)17-13(19)9-18-4-6-22-7-5-18/h2-3,8,10H,4-7,9H2,1H3,(H,17,19).
What are the key properties of methyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate?
methyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-morpholin-4-ylacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 1189893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).