methyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate

C14H18N2O5S — CID 829075

IUPACmethyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(C)=O)sc(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H18N2O5S/c1-8-10(14(19)20-3)12(15-9(2)17)22-11(8)13(18)16-4-6-21-7-5-16/h4-7H2,1-3H3,(H,15,17)
InChIKeyTZDXOQKUOOPBDC-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.27
Rot. Bonds3

About methyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate

methyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate (PubChem CID 829075) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is methyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
PubChem CID829075
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Namemethyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(C)=O)sc(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C14H18N2O5S/c1-8-10(14(19)20-3)12(15-9(2)17)22-11(8)13(18)16-4-6-21-7-5-16/h4-7H2,1-3H3,(H,15,17)
InChIKeyTZDXOQKUOOPBDC-UHFFFAOYSA-N
XLogP1.27
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4,5-dimethyl-2-[(piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 691671
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(2-morpholinoacetamido)-, ethyl ester
CID 44008
6-tert-butyl 3-ethyl 2-amino-4H,5H,6H,7H-thieno(2,3-c)pyridine-3,6-dicarboxylate
CID 2794740
N-propyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68909935
Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
CID 291812
Ethyl 2-[(4-morpholinylacetyl)amino]-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1208310
Thieno(2,3-c)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-6-acetyl-6-amino-, ethyl ester
CID 212358
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carboxylate
CID 207319
2-Ethyl 4-methyl 5-[(methoxycarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
CID 1246494
Ethyl 2-{[(tert-butylamino)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 2810964
Ethyl 4,5-dimethyl-2-[(morpholinocarbothioyl)amino]-3-thiophenecarboxylate
CID 2816737
Ethyl 4,5-dimethyl-2-(oxolan-2-ylcarbonylamino)thiophene-3-carboxylate
CID 3138739

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate (CID 829075) is methyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate is COC(=O)c1c(NC(C)=O)sc(C(=O)N2CCOCC2)c1C.
What is the InChIKey of methyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate?
The InChIKey is TZDXOQKUOOPBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-8-10(14(19)20-3)12(15-9(2)17)22-11(8)13(18)16-4-6-21-7-5-16/h4-7H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate?
methyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate has a molecular weight of 326.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-4-methyl-5-(morpholine-4-carbonyl)thiophene-3-carboxylate is sourced from PubChem (CID 829075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).