tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate

C19H29NO5S — CID 144740528

IUPACtert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate
SMILESCC(C)(C)OC(N)=O.COC(=O)c1csc(C(=O)C2CCCCC2)c1C
InChIInChI=1S/C14H18O3S.C5H11NO2/c1-9-11(14(16)17-2)8-18-13(9)12(15)10-6-4-3-5-7-10;1-5(2,3)8-4(6)7/h8,10H,3-7H2,1-2H3;1-3H3,(H2,6,7)
InChIKeyHRQCGEJTTCWMEG-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.49
Rot. Bonds3

About tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate

tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate (PubChem CID 144740528) has the molecular formula C19H29NO5S and a molecular weight of 383.51 g/mol. Its IUPAC name is tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nametert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate
PubChem CID144740528
Molecular FormulaC19H29NO5S
Molecular Weight383.51 g/mol
Exact Mass383.18
IUPAC Nametert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate
SMILESCC(C)(C)OC(N)=O.COC(=O)c1csc(C(=O)C2CCCCC2)c1C
InChIInChI=1S/C14H18O3S.C5H11NO2/c1-9-11(14(16)17-2)8-18-13(9)12(15)10-6-4-3-5-7-10;1-5(2,3)8-4(6)7/h8,10H,3-7H2,1-2H3;1-3H3,(H2,6,7)
InChIKeyHRQCGEJTTCWMEG-UHFFFAOYSA-N
XLogP4.49
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate?
The IUPAC name of tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate (CID 144740528) is tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate?
The canonical SMILES for tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate is CC(C)(C)OC(N)=O.COC(=O)c1csc(C(=O)C2CCCCC2)c1C.
What is the InChIKey of tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate?
The InChIKey is HRQCGEJTTCWMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S.C5H11NO2/c1-9-11(14(16)17-2)8-18-13(9)12(15)10-6-4-3-5-7-10;1-5(2,3)8-4(6)7/h8,10H,3-7H2,1-2H3;1-3H3,(H2,6,7).
What are the key properties of tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate?
tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate has a molecular weight of 383.51 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;methyl 5-(cyclohexanecarbonyl)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 144740528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).