[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate

C15H22N2O4S — CID 42243245

IUPAC[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)O[C@H](C)C(=O)NC(=O)NC)cc1CC
InChIInChI=1S/C15H22N2O4S/c1-5-7-11-10(6-2)8-12(22-11)14(19)21-9(3)13(18)17-15(20)16-4/h8-9H,5-7H2,1-4H3,(H2,16,17,18,20)/t9-/m1/s1
InChIKeyIPPXOXNOULAIFN-SECBINFHSA-N
MW326.42 g/mol
LogP2.26
Rot. Bonds6

About [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate (PubChem CID 42243245) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
PubChem CID42243245
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)O[C@H](C)C(=O)NC(=O)NC)cc1CC
InChIInChI=1S/C15H22N2O4S/c1-5-7-11-10(6-2)8-12(22-11)14(19)21-9(3)13(18)17-15(20)16-4/h8-9H,5-7H2,1-4H3,(H2,16,17,18,20)/t9-/m1/s1
InChIKeyIPPXOXNOULAIFN-SECBINFHSA-N
XLogP2.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 16512861
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651318
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651295
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 7887319
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 7146722
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 15945194
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418958
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651386
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 16524144
(1-anilino-1-oxopropan-2-yl) 5-methyl-4-propylthiophene-2-carboxylate
CID 16516818
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dichlorobenzoate
CID 16523243
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7652323

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
The IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate (CID 42243245) is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate is CCCc1sc(C(=O)O[C@H](C)C(=O)NC(=O)NC)cc1CC.
What is the InChIKey of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
The InChIKey is IPPXOXNOULAIFN-SECBINFHSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-5-7-11-10(6-2)8-12(22-11)14(19)21-9(3)13(18)17-15(20)16-4/h8-9H,5-7H2,1-4H3,(H2,16,17,18,20)/t9-/m1/s1.
What are the key properties of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate has a molecular weight of 326.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate is sourced from PubChem (CID 42243245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).