ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate

C16H22N2O4S — CID 17063366

IUPACethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC2)sc(C(=O)NC(C)C)c1C
InChIInChI=1S/C16H22N2O4S/c1-5-22-16(21)11-9(4)12(14(20)17-8(2)3)23-15(11)18-13(19)10-6-7-10/h8,10H,5-7H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyVDQCVMOVNJCZDE-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.72
Rot. Bonds6

About ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate

ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate (PubChem CID 17063366) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
PubChem CID17063366
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Nameethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC2)sc(C(=O)NC(C)C)c1C
InChIInChI=1S/C16H22N2O4S/c1-5-22-16(21)11-9(4)12(14(20)17-8(2)3)23-15(11)18-13(19)10-6-7-10/h8,10H,5-7H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyVDQCVMOVNJCZDE-UHFFFAOYSA-N
XLogP2.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(piperidine-1-carbonyl)thiophene-3-carboxylate
CID 17064171
ethyl 5-acetyl-2-(cyclohexanecarbonylamino)-4-methylthiophene-3-carboxylate
CID 706257
ethyl 2-(cyclopropanecarbonylamino)-5-[(2-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
CID 1092221
ethyl 4-methyl-2-[(2-phenoxyacetyl)amino]-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 17061992
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-(cyclopropanecarbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 9490875
ethyl 2-benzamido-4-methyl-5-(1-phenylethylcarbamoyl)thiophene-3-carboxylate
CID 17061853
ethyl 5-(cyclopentylcarbamoyl)-2-[(4-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 4128602
diethyl 5-[[4-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]benzoyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 5050766
4-O-ethyl 2-O-(2-methoxyethyl) 3-methyl-5-(propanoylamino)thiophene-2,4-dicarboxylate
CID 28694170
diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate
CID 28693670
ethyl 5-carbamoyl-4-methyl-2-(oxolane-2-carbonylamino)thiophene-3-carboxylate
CID 2932484
ethyl 5-carbamoyl-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]thiophene-3-carboxylate
CID 897989

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate?
The IUPAC name of ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate (CID 17063366) is ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)C2CC2)sc(C(=O)NC(C)C)c1C.
What is the InChIKey of ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate?
The InChIKey is VDQCVMOVNJCZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-5-22-16(21)11-9(4)12(14(20)17-8(2)3)23-15(11)18-13(19)10-6-7-10/h8,10H,5-7H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate?
ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate has a molecular weight of 338.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropanecarbonylamino)-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate is sourced from PubChem (CID 17063366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).