N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide

C14H23NO3S2 — CID 71810393

IUPACN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide
SMILESCOC(CNS(=O)(=O)C1CCCCC1)c1ccc(C)s1
InChIInChI=1S/C14H23NO3S2/c1-11-8-9-14(19-11)13(18-2)10-15-20(16,17)12-6-4-3-5-7-12/h8-9,12-13,15H,3-7,10H2,1-2H3
InChIKeyOLXFGSZXSLOZAB-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.00
Rot. Bonds6

About N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide

N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide (PubChem CID 71810393) has the molecular formula C14H23NO3S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide
PubChem CID71810393
Molecular FormulaC14H23NO3S2
Molecular Weight317.48 g/mol
Exact Mass317.11
IUPAC NameN-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide
SMILESCOC(CNS(=O)(=O)C1CCCCC1)c1ccc(C)s1
InChIInChI=1S/C14H23NO3S2/c1-11-8-9-14(19-11)13(18-2)10-15-20(16,17)12-6-4-3-5-7-12/h8-9,12-13,15H,3-7,10H2,1-2H3
InChIKeyOLXFGSZXSLOZAB-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide?
The IUPAC name of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide (CID 71810393) is N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide?
The canonical SMILES for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide is COC(CNS(=O)(=O)C1CCCCC1)c1ccc(C)s1.
What is the InChIKey of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide?
The InChIKey is OLXFGSZXSLOZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S2/c1-11-8-9-14(19-11)13(18-2)10-15-20(16,17)12-6-4-3-5-7-12/h8-9,12-13,15H,3-7,10H2,1-2H3.
What are the key properties of N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide?
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide has a molecular weight of 317.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]cyclohexanesulfonamide is sourced from PubChem (CID 71810393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).