N-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide

C25H29NO4S2 — CID 90656081

IUPACN-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide
SMILESCC(C)CN(Cc1cccc(-c2ccc(S(C)(=O)=O)cc2)c1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C25H29NO4S2/c1-20(2)17-26(32(29,30)19-21-8-5-4-6-9-21)18-22-10-7-11-24(16-22)23-12-14-25(15-13-23)31(3,27)28/h4-16,20H,17-19H2,1-3H3
InChIKeyQUOSAZADSIMULB-UHFFFAOYSA-N
MW471.64 g/mol
LogP4.75
Rot. Bonds9

About N-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide

N-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide (PubChem CID 90656081) has the molecular formula C25H29NO4S2 and a molecular weight of 471.64 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide
PubChem CID90656081
Molecular FormulaC25H29NO4S2
Molecular Weight471.64 g/mol
Exact Mass471.15
IUPAC NameN-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide
SMILESCC(C)CN(Cc1cccc(-c2ccc(S(C)(=O)=O)cc2)c1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C25H29NO4S2/c1-20(2)17-26(32(29,30)19-21-8-5-4-6-9-21)18-22-10-7-11-24(16-22)23-12-14-25(15-13-23)31(3,27)28/h4-16,20H,17-19H2,1-3H3
InChIKeyQUOSAZADSIMULB-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-4-[3-(methylsulfonyl)phenyl]piperidine
CID 22397829
N-(2-Methylpropyl)-N-({5-[4-(Methylsulfonyl)phenyl]thiophen-2-Yl}methyl)-1-Phenylmethanesulfonamide
CID 77620538
Phenyl-N,N-bis(tosylmethyl)methanamine
CID 3787955
4-[2-[(4-Methylsulfanylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4719675
N-isobutyl-N-[5-(3-methanesulfonyl-phenyl)-thiophen-2-ylmethyl]-C-phenyl-methanesulfonamide
CID 25234324
N-(2-methylpropyl)-N-[[4-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide
CID 71622396
4-[4-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzenesulfonamide
CID 71622674
N-benzyl-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 71720085
N-benzyl-N-(2-methylpropyl)-4-(4-methylsulfonylphenyl)benzenesulfonamide
CID 76282979
N-benzyl-4-methyl-N-[(4-propylphenyl)methyl]benzenesulfonamide
CID 71623178
N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide
CID 71623179
N-benzyl-N-[(4-butylphenyl)methyl]-4-methylbenzenesulfonamide
CID 71623225

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide (CID 90656081) is N-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide is CC(C)CN(Cc1cccc(-c2ccc(S(C)(=O)=O)cc2)c1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide?
The InChIKey is QUOSAZADSIMULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4S2/c1-20(2)17-26(32(29,30)19-21-8-5-4-6-9-21)18-22-10-7-11-24(16-22)23-12-14-25(15-13-23)31(3,27)28/h4-16,20H,17-19H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide?
N-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide has a molecular weight of 471.64 g/mol, XLogP of 4.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[[3-(4-methylsulfonylphenyl)phenyl]methyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 90656081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).