[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate

C16H22N2O4S — CID 46790726

IUPAC[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H22N2O4S/c1-10-8-9-23-13(10)15(20)22-11(2)14(19)18-16(21)17-12-6-4-3-5-7-12/h8-9,11-12H,3-7H2,1-2H3,(H2,17,18,19,21)
InChIKeyUFKADDMBDRSCCZ-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.76
Rot. Bonds4

About [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate (PubChem CID 46790726) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
PubChem CID46790726
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H22N2O4S/c1-10-8-9-23-13(10)15(20)22-11(2)14(19)18-16(21)17-12-6-4-3-5-7-12/h8-9,11-12H,3-7H2,1-2H3,(H2,17,18,19,21)
InChIKeyUFKADDMBDRSCCZ-UHFFFAOYSA-N
XLogP2.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
CID 7840512
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2451959
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 43031206
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 7749163
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666760
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476830
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 55422104
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 7844460
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 7722733
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373033
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373032
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(4-hydroxyphenyl)benzoate
CID 7133587

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate (CID 46790726) is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate?
The InChIKey is UFKADDMBDRSCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-10-8-9-23-13(10)15(20)22-11(2)14(19)18-16(21)17-12-6-4-3-5-7-12/h8-9,11-12H,3-7H2,1-2H3,(H2,17,18,19,21).
What are the key properties of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate?
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate has a molecular weight of 338.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 46790726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).