N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide

C20H28N2O2S — CID 119129540

IUPACN,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(CCc1ccccc1)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H28N2O2S/c1-16(10-11-18-8-6-5-7-9-18)21-17(2)19-12-14-20(15-13-19)25(23,24)22(3)4/h5-9,12-17,21H,10-11H2,1-4H3
InChIKeyJMJHMWYUQXVCQZ-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.61
Rot. Bonds8

About N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide

N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 119129540) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
PubChem CID119129540
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide
SMILESCC(CCc1ccccc1)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H28N2O2S/c1-16(10-11-18-8-6-5-7-9-18)21-17(2)19-12-14-20(15-13-19)25(23,24)22(3)4/h5-9,12-17,21H,10-11H2,1-4H3
InChIKeyJMJHMWYUQXVCQZ-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
N,N-dimethyl-4-[1-(1-methylsulfanylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 115677186
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-phenylbutan-2-amine
CID 81352287
N-[(1S)-1-(4-bromophenyl)ethyl]-4-phenylbutan-2-amine
CID 81359942
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171683
N,N-dimethyl-4-[2-(1-phenylethylsulfamoyl)ethyl]benzenesulfonamide
CID 110299331
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81368068
2-[5-(dimethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7828980
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
4-[1-[4-(2-hydroxyethyl)anilino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 110907925
4-(4-methoxyphenyl)-N-[(1R)-1-phenylethyl]butan-2-amine
CID 81350768

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide (CID 119129540) is N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide is CC(CCc1ccccc1)NC(C)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is JMJHMWYUQXVCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-16(10-11-18-8-6-5-7-9-18)21-17(2)19-12-14-20(15-13-19)25(23,24)22(3)4/h5-9,12-17,21H,10-11H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide?
N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 360.52 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(4-phenylbutan-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 119129540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).