N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide

C25H29N3O4S — CID 46932009

IUPACN-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide
SMILESCOc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(N2CCNC2=O)cc1C(C)(C)C
InChIInChI=1S/C25H29N3O4S/c1-25(2,3)22-15-20(28-11-10-26-24(28)29)14-21(23(22)32-4)18-7-6-17-13-19(27-33(5,30)31)9-8-16(17)12-18/h6-9,12-15,27H,10-11H2,1-5H3,(H,26,29)
InChIKeyBSZMXNDNNLHKNV-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.71
Rot. Bonds5

About N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide

N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide (PubChem CID 46932009) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide
PubChem CID46932009
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide
SMILESCOc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(N2CCNC2=O)cc1C(C)(C)C
InChIInChI=1S/C25H29N3O4S/c1-25(2,3)22-15-20(28-11-10-26-24(28)29)14-21(23(22)32-4)18-7-6-17-13-19(27-33(5,30)31)9-8-16(17)12-18/h6-9,12-15,27H,10-11H2,1-5H3,(H,26,29)
InChIKeyBSZMXNDNNLHKNV-UHFFFAOYSA-N
XLogP4.71
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide?
The IUPAC name of N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide (CID 46932009) is N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide is COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(N2CCNC2=O)cc1C(C)(C)C.
What is the InChIKey of N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide?
The InChIKey is BSZMXNDNNLHKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-25(2,3)22-15-20(28-11-10-26-24(28)29)14-21(23(22)32-4)18-7-6-17-13-19(27-33(5,30)31)9-8-16(17)12-18/h6-9,12-15,27H,10-11H2,1-5H3,(H,26,29).
What are the key properties of N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide?
N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide has a molecular weight of 467.59 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-tert-butyl-2-methoxy-5-(2-oxoimidazolidin-1-yl)phenyl]naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 46932009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).