N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide

C28H37NO4S — CID 139532547

IUPACN-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C28H37NO4S/c1-33-26-16-18-27(19-17-26)34(31,32)29(25-15-14-22-9-6-7-12-24(22)21-25)20-8-13-28(30)23-10-4-2-3-5-11-23/h14-19,21,23H,2-13,20H2,1H3
InChIKeyLZSYOIRSUFMVMD-UHFFFAOYSA-N
MW483.67 g/mol
LogP6.09
Rot. Bonds9

About N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide

N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide (PubChem CID 139532547) has the molecular formula C28H37NO4S and a molecular weight of 483.67 g/mol. Its IUPAC name is N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide
PubChem CID139532547
Molecular FormulaC28H37NO4S
Molecular Weight483.67 g/mol
Exact Mass483.24
IUPAC NameN-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C28H37NO4S/c1-33-26-16-18-27(19-17-26)34(31,32)29(25-15-14-22-9-6-7-12-24(22)21-25)20-8-13-28(30)23-10-4-2-3-5-11-23/h14-19,21,23H,2-13,20H2,1H3
InChIKeyLZSYOIRSUFMVMD-UHFFFAOYSA-N
XLogP6.09
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.67
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CaMKII inhibitor BSA-9
CID 139532554
N-(4-cyclopentyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
CID 139532544
N-(4-cycloheptyl-4-oxobutyl)-N-(4-cyclohexylphenyl)-4-methoxybenzenesulfonamide
CID 139532545
3-[4-[Carboxymethyl-(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]propanoic acid
CID 139570937
N-(4-cyclohexyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
CID 139532541
N-[4-(4-fluorophenyl)-4-oxobutyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 139532548
N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
CID 139532553
N-[4-(2-adamantyl)-4-oxobutyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 139532555
N-(4-cycloheptyl-4-oxobutyl)-4-phenoxy-N-phenylbenzenesulfonamide
CID 139532556
N-ethenyl-4-methoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 172444709
N-benzyl-4-methoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 177639730
N-(4-Isopropylphenyl)-1-((4-methoxyphenyl)sulfonyl)piperidine-4-carboxamide
CID 1075527

Frequently Asked Questions

What is the IUPAC name of N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide (CID 139532547) is N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCCCCC2)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide?
The InChIKey is LZSYOIRSUFMVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37NO4S/c1-33-26-16-18-27(19-17-26)34(31,32)29(25-15-14-22-9-6-7-12-24(22)21-25)20-8-13-28(30)23-10-4-2-3-5-11-23/h14-19,21,23H,2-13,20H2,1H3.
What are the key properties of N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide?
N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide has a molecular weight of 483.67 g/mol, XLogP of 6.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cycloheptyl-4-oxobutyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzenesulfonamide is sourced from PubChem (CID 139532547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).