N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide

C15H23NO4S — CID 71969741

IUPACN,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide
SMILESCc1cc(C)c(C(=O)N(C)C2CCCCC2S(C)(=O)=O)o1
InChIInChI=1S/C15H23NO4S/c1-10-9-11(2)20-14(10)15(17)16(3)12-7-5-6-8-13(12)21(4,18)19/h9,12-13H,5-8H2,1-4H3
InChIKeyBBONRUKMSOPRFU-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.32
Rot. Bonds3

About N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide

N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide (PubChem CID 71969741) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide
PubChem CID71969741
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC NameN,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide
SMILESCc1cc(C)c(C(=O)N(C)C2CCCCC2S(C)(=O)=O)o1
InChIInChI=1S/C15H23NO4S/c1-10-9-11(2)20-14(10)15(17)16(3)12-7-5-6-8-13(12)21(4,18)19/h9,12-13H,5-8H2,1-4H3
InChIKeyBBONRUKMSOPRFU-UHFFFAOYSA-N
XLogP2.32
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide (CID 71969741) is N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide is Cc1cc(C)c(C(=O)N(C)C2CCCCC2S(C)(=O)=O)o1.
What is the InChIKey of N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide?
The InChIKey is BBONRUKMSOPRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-10-9-11(2)20-14(10)15(17)16(3)12-7-5-6-8-13(12)21(4,18)19/h9,12-13H,5-8H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide?
N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide has a molecular weight of 313.42 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(2-methylsulfonylcyclohexyl)furan-2-carboxamide is sourced from PubChem (CID 71969741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).