N-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide

C20H29NO3S — CID 3399744

IUPACN-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)CC23CCC(CC2=O)C3(C)C)cc1
InChIInChI=1S/C20H29NO3S/c1-4-5-6-15-7-9-17(10-8-15)21-25(23,24)14-20-12-11-16(13-18(20)22)19(20,2)3/h7-10,16,21H,4-6,11-14H2,1-3H3
InChIKeyJFMOMVOZKKRDOI-UHFFFAOYSA-N
MW363.52 g/mol
LogP4.17
Rot. Bonds7

About N-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide

N-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide (PubChem CID 3399744) has the molecular formula C20H29NO3S and a molecular weight of 363.52 g/mol. Its IUPAC name is N-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
PubChem CID3399744
Molecular FormulaC20H29NO3S
Molecular Weight363.52 g/mol
Exact Mass363.19
IUPAC NameN-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
SMILESCCCCc1ccc(NS(=O)(=O)CC23CCC(CC2=O)C3(C)C)cc1
InChIInChI=1S/C20H29NO3S/c1-4-5-6-15-7-9-17(10-8-15)21-25(23,24)14-20-12-11-16(13-18(20)22)19(20,2)3/h7-10,16,21H,4-6,11-14H2,1-3H3
InChIKeyJFMOMVOZKKRDOI-UHFFFAOYSA-N
XLogP4.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The IUPAC name of N-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide (CID 3399744) is N-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide.
What is the SMILES notation for N-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The canonical SMILES for N-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide is CCCCc1ccc(NS(=O)(=O)CC23CCC(CC2=O)C3(C)C)cc1.
What is the InChIKey of N-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
The InChIKey is JFMOMVOZKKRDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3S/c1-4-5-6-15-7-9-17(10-8-15)21-25(23,24)14-20-12-11-16(13-18(20)22)19(20,2)3/h7-10,16,21H,4-6,11-14H2,1-3H3.
What are the key properties of N-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide?
N-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide has a molecular weight of 363.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonamide is sourced from PubChem (CID 3399744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).