N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide

C35H35N3O3S — CID 59900306

IUPACN-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3c(N(Cc4ccccc4)Cc4ccccc4)cccc23)cc1
InChIInChI=1S/C35H35N3O3S/c1-35(2,3)34(39)36-28-20-22-29(23-21-28)37-42(40,41)33-19-11-16-30-31(33)17-10-18-32(30)38(24-26-12-6-4-7-13-26)25-27-14-8-5-9-15-27/h4-23,37H,24-25H2,1-3H3,(H,36,39)
InChIKeySAVFQRHTSFAFOT-UHFFFAOYSA-N
MW577.75 g/mol
LogP7.83
Rot. Bonds9

About N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide

N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide (PubChem CID 59900306) has the molecular formula C35H35N3O3S and a molecular weight of 577.75 g/mol. Its IUPAC name is N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
PubChem CID59900306
Molecular FormulaC35H35N3O3S
Molecular Weight577.75 g/mol
Exact Mass577.24
IUPAC NameN-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3c(N(Cc4ccccc4)Cc4ccccc4)cccc23)cc1
InChIInChI=1S/C35H35N3O3S/c1-35(2,3)34(39)36-28-20-22-29(23-21-28)37-42(40,41)33-19-11-16-30-31(33)17-10-18-32(30)38(24-26-12-6-4-7-13-26)25-27-14-8-5-9-15-27/h4-23,37H,24-25H2,1-3H3,(H,36,39)
InChIKeySAVFQRHTSFAFOT-UHFFFAOYSA-N
XLogP7.83
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.75
LogP ≤ 57.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
5-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]naphthalene-1-carboxylic acid
CID 11155424
pyridin-4-ylmethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate
CID 15523590
2,2-dimethyl-N-[4-[[5-(2-morpholin-4-ylethylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040370
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-fluorocyclopropane-1-carboxamide
CID 59900335
2-(2-methoxyethoxy)ethyl N-[5-[[4-(2,2-dimethylpropanoylamino)phenyl]sulfamoyl]naphthalen-1-yl]carbamate
CID 142040330
2,2-dimethyl-N-[4-[[2-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 35185568
3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 10141380
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 59900326
2-amino-N-[4-[[5-(4-benzylpiperazin-1-yl)sulfonylnaphthalen-1-yl]sulfonylamino]phenyl]-3-chloro-2-methylpropanamide
CID 142026367
[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
CID 15345457
3-fluoro-2,2-dimethyl-N-[4-[[4-(1H-pyrrol-2-yl)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040416

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide (CID 59900306) is N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc3c(N(Cc4ccccc4)Cc4ccccc4)cccc23)cc1.
What is the InChIKey of N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is SAVFQRHTSFAFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N3O3S/c1-35(2,3)34(39)36-28-20-22-29(23-21-28)37-42(40,41)33-19-11-16-30-31(33)17-10-18-32(30)38(24-26-12-6-4-7-13-26)25-27-14-8-5-9-15-27/h4-23,37H,24-25H2,1-3H3,(H,36,39).
What are the key properties of N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide?
N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 577.75 g/mol, XLogP of 7.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(dibenzylamino)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 59900306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).