ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate

C14H20N2O3S — CID 60921466

IUPACethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CCN(C)C2)cc1C
InChIInChI=1S/C14H20N2O3S/c1-4-19-14(18)12-9(2)7-11(20-12)15-13(17)10-5-6-16(3)8-10/h7,10H,4-6,8H2,1-3H3,(H,15,17)
InChIKeyBAQHOCKCCWZCEW-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.12
Rot. Bonds4

About ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate

ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 60921466) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
PubChem CID60921466
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C2CCN(C)C2)cc1C
InChIInChI=1S/C14H20N2O3S/c1-4-19-14(18)12-9(2)7-11(20-12)15-13(17)10-5-6-16(3)8-10/h7,10H,4-6,8H2,1-3H3,(H,15,17)
InChIKeyBAQHOCKCCWZCEW-UHFFFAOYSA-N
XLogP2.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-methyl-5-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
CID 43424052
ethyl 5-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 26901059
ethyl 5-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 134060480
ethyl 3-methyl-5-[[1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate
CID 16934324
ethyl 3-methyl-5-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 16862892
ethyl 3-methyl-5-(oxane-3-carbonylamino)thiophene-2-carboxylate
CID 62761043
ethyl 5-(cyclopropanecarbonylcarbamothioylamino)-3-methylthiophene-2-carboxylate
CID 2373848
ethyl 5-(azepane-1-carbonylamino)-3-methylthiophene-2-carboxylate
CID 78990945
prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
CID 47158600
[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 36684369
ethyl 5-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 42905570
ethyl 3-methyl-5-[[1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 55755895

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate (CID 60921466) is ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)C2CCN(C)C2)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is BAQHOCKCCWZCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-4-19-14(18)12-9(2)7-11(20-12)15-13(17)10-5-6-16(3)8-10/h7,10H,4-6,8H2,1-3H3,(H,15,17).
What are the key properties of ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 60921466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).