methyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate

C17H18N2O4S — CID 2809855

IUPACmethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCOCC1
InChIInChI=1S/C17H18N2O4S/c1-22-17(21)13-11-12(18-16(20)15-3-2-10-24-15)4-5-14(13)19-6-8-23-9-7-19/h2-5,10-11H,6-9H2,1H3,(H,18,20)
InChIKeyWJGGLORJIYGYKB-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.62
Rot. Bonds4

About methyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate

methyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate (PubChem CID 2809855) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is methyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate
PubChem CID2809855
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Namemethyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCOCC1
InChIInChI=1S/C17H18N2O4S/c1-22-17(21)13-11-12(18-16(20)15-3-2-10-24-15)4-5-14(13)19-6-8-23-9-7-19/h2-5,10-11H,6-9H2,1H3,(H,18,20)
InChIKeyWJGGLORJIYGYKB-UHFFFAOYSA-N
XLogP2.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(4-morpholinyl)-5-[(2-thienylmethyl)amino]benzoate
CID 3162053
Ethyl 2-morpholin-4-yl-5-(2-thienylcarbonylamino)benzoate
CID 3163308
Ethyl 5-ethyl-2-[(2-morpholin-4-yl-5-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 2876601
Ethyl 3-({[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}amino)benzoate
CID 3237508
Methyl 2-methyl-3-[(2-thienylcarbonyl)amino]benzoate
CID 888367
Methyl 2-[(2-thienylcarbonyl)amino]benzoate
CID 681893
3-Thiophenecarboxylic acid, 2-((4-morpholinylacetyl)amino)-4-phenyl-, ethyl ester
CID 100701
Methyl 2-(4-morpholinyl)-5-[(2-thienylmethyl)amino]benzoate
CID 666194
Ethyl 2-(thiophene-2-carbonylamino)benzoate
CID 677613
Dimethyl 2-[(2-thiophen-2-ylacetyl)amino]benzene-1,4-dicarboxylate
CID 821004
2-(2-Phenylsulfanyl-acetylamino)-benzoic acid ethyl ester
CID 846473
4-(4-Methylphenyl)-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 1184248

Frequently Asked Questions

What is the IUPAC name of methyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of methyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate (CID 2809855) is methyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for methyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate is COC(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCOCC1.
What is the InChIKey of methyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate?
The InChIKey is WJGGLORJIYGYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-22-17(21)13-11-12(18-16(20)15-3-2-10-24-15)4-5-14(13)19-6-8-23-9-7-19/h2-5,10-11H,6-9H2,1H3,(H,18,20).
What are the key properties of methyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate?
methyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate has a molecular weight of 346.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-morpholin-4-yl-5-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 2809855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).