4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid

C16H23NO4S — CID 19100741

IUPAC4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1scc(C2CCCCC2)c1C(=O)O
InChIInChI=1S/C16H23NO4S/c1-16(2,3)21-15(20)17-13-12(14(18)19)11(9-22-13)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyYGIFDANSLDWPDK-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.84
Rot. Bonds3

About 4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid

4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid (PubChem CID 19100741) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid
PubChem CID19100741
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1scc(C2CCCCC2)c1C(=O)O
InChIInChI=1S/C16H23NO4S/c1-16(2,3)21-15(20)17-13-12(14(18)19)11(9-22-13)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyYGIFDANSLDWPDK-UHFFFAOYSA-N
XLogP4.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid?
The IUPAC name of 4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid (CID 19100741) is 4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid is CC(C)(C)OC(=O)Nc1scc(C2CCCCC2)c1C(=O)O.
What is the InChIKey of 4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid?
The InChIKey is YGIFDANSLDWPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-16(2,3)21-15(20)17-13-12(14(18)19)11(9-22-13)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid?
4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid has a molecular weight of 325.43 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 19100741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).