N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide

C25H29NO4S2 — CID 118724650

IUPACN-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H29NO4S2/c1-20(2)19-26(18-17-21-7-5-4-6-8-21)32(29,30)25-15-11-23(12-16-25)22-9-13-24(14-10-22)31(3,27)28/h4-16,20H,17-19H2,1-3H3
InChIKeyCLANWEBWPUWEFS-UHFFFAOYSA-N
MW471.64 g/mol
LogP4.65
Rot. Bonds9

About N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide

N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 118724650) has the molecular formula C25H29NO4S2 and a molecular weight of 471.64 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID118724650
Molecular FormulaC25H29NO4S2
Molecular Weight471.64 g/mol
Exact Mass471.15
IUPAC NameN-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C25H29NO4S2/c1-20(2)19-26(18-17-21-7-5-4-6-8-21)32(29,30)25-15-11-23(12-16-25)22-9-13-24(14-10-22)31(3,27)28/h4-16,20H,17-19H2,1-3H3
InChIKeyCLANWEBWPUWEFS-UHFFFAOYSA-N
XLogP4.65
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.64
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Methylpropyl)-N-({5-[4-(Methylsulfonyl)phenyl]thiophen-2-Yl}methyl)-1-Phenylmethanesulfonamide
CID 77620538
(R)-2-Methyl-1-[2-(4'-phenylmethanesulfonyl-biphenyl-4-yl)-ethyl]-pyrrolidine
CID 24900258
1-[6-(benzenesulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
CID 46889856
N-[(R)-6-(3-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl]-N-methyl-methanesulfonamide
CID 46890221
Phenyl-N,N-bis(tosylmethyl)methanamine
CID 3787955
N-methyl-N-[2-phenyl-4-(4-phenyl-1-piperidyl)butyl]benzenesulfonamide
CID 478308
1-[4-(Benzenesulfonyl)-4-methylpentyl]-3-phenylpiperidine
CID 21048816
(R)-1-[2-(4'-Methanesulfonyl-biphenyl-4-yl)-ethyl]-2-methyl-pyrrolidine
CID 24900016
(E)-1-(4-ethylphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193006
(E)-4-phenyl-1-tosyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193007
(E)-1-(4-tert-butylphenylsulfonyl)-4-phenyl-2,3,6,7-tetrahydro-1H-azepine
CID 25193008
N-(2-methylpropyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide
CID 71622396

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide (CID 118724650) is N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide is CC(C)CN(CCc1ccccc1)S(=O)(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is CLANWEBWPUWEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4S2/c1-20(2)19-26(18-17-21-7-5-4-6-8-21)32(29,30)25-15-11-23(12-16-25)22-9-13-24(14-10-22)31(3,27)28/h4-16,20H,17-19H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide?
N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 471.64 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 118724650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).