N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide

C26H29NO2S — CID 139200596

IUPACN-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@]2(c3ccccc3)CCC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C26H29NO2S/c1-20-13-15-22(16-14-20)30(28,29)27-19-26(21-9-5-4-6-10-21)18-17-25(2,3)23-11-7-8-12-24(23)26/h4-16,27H,17-19H2,1-3H3/t26-/m1/s1
InChIKeyJXHIKMNRTRZSLX-AREMUKBSSA-N
MW419.59 g/mol
LogP5.33
Rot. Bonds5

About N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide

N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 139200596) has the molecular formula C26H29NO2S and a molecular weight of 419.59 g/mol. Its IUPAC name is N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID139200596
Molecular FormulaC26H29NO2S
Molecular Weight419.59 g/mol
Exact Mass419.19
IUPAC NameN-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@]2(c3ccccc3)CCC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C26H29NO2S/c1-20-13-15-22(16-14-20)30(28,29)27-19-26(21-9-5-4-6-10-21)18-17-25(2,3)23-11-7-8-12-24(23)26/h4-16,27H,17-19H2,1-3H3/t26-/m1/s1
InChIKeyJXHIKMNRTRZSLX-AREMUKBSSA-N
XLogP5.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.59
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
N-[[1-(bromomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 115456564
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-methylbenzenesulfonamide
CID 113313712
4-methyl-N-[[1-(1-phenylethyl)cyclohexyl]methyl]benzenesulfonamide
CID 172759953
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 110292782
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
N-(bromomethyl)-4-methylbenzenesulfonamide
CID 20609777
N-[[2-[1-(benzenesulfonyl)pyrrol-3-yl]-1,3-dioxolan-2-yl]methyl]-4-methylbenzenesulfonamide
CID 134951227
N-[(1R)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-4-methylbenzenesulfonamide
CID 97326025
N-[2-[benzyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71677105

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide (CID 139200596) is N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@]2(c3ccccc3)CCC(C)(C)c3ccccc32)cc1.
What is the InChIKey of N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is JXHIKMNRTRZSLX-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29NO2S/c1-20-13-15-22(16-14-20)30(28,29)27-19-26(21-9-5-4-6-10-21)18-17-25(2,3)23-11-7-8-12-24(23)26/h4-16,27H,17-19H2,1-3H3/t26-/m1/s1.
What are the key properties of N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide?
N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 419.59 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 139200596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).