[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate

C16H24N2O4S — CID 7651318

IUPAC[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc1CC
InChIInChI=1S/C16H24N2O4S/c1-5-7-11-10(6-2)8-12(23-11)15(20)22-13(9(3)4)14(19)18-16(17)21/h8-9,13H,5-7H2,1-4H3,(H3,17,18,19,21)/t13-/m0/s1
InChIKeyHWQJASTXRAOARG-ZDUSSCGKSA-N
MW340.45 g/mol
LogP2.64
Rot. Bonds7

About [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate (PubChem CID 7651318) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
PubChem CID7651318
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
SMILESCCCc1sc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc1CC
InChIInChI=1S/C16H24N2O4S/c1-5-7-11-10(6-2)8-12(23-11)15(20)22-13(9(3)4)14(19)18-16(17)21/h8-9,13H,5-7H2,1-4H3,(H3,17,18,19,21)/t13-/m0/s1
InChIKeyHWQJASTXRAOARG-ZDUSSCGKSA-N
XLogP2.64
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.64
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
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 42243245
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7402181
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651386
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3,5-dimethoxybenzoate
CID 7727195
4-ethyl-N-(4-hydroxybutan-2-yl)-5-propylthiophene-2-carboxamide
CID 81042466
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651295
4-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-propylthiophene-2-carboxamide
CID 106353194
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(propylsulfamoyl)benzoate
CID 7536967
N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide
CID 47210170
4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
CID 119501880
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-fluorobenzoate
CID 7478298

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
The IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate (CID 7651318) is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate is CCCc1sc(C(=O)O[C@H](C(=O)NC(N)=O)C(C)C)cc1CC.
What is the InChIKey of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
The InChIKey is HWQJASTXRAOARG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-5-7-11-10(6-2)8-12(23-11)15(20)22-13(9(3)4)14(19)18-16(17)21/h8-9,13H,5-7H2,1-4H3,(H3,17,18,19,21)/t13-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate?
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-ethyl-5-propylthiophene-2-carboxylate is sourced from PubChem (CID 7651318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).