4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide

C27H32N2O3S — CID 71622669

IUPAC4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide
SMILESCC(C)CN(Cc1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C27H32N2O3S/c1-21(2)18-29(33(31,32)20-23-8-6-5-7-9-23)19-22-10-12-24(13-11-22)25-14-16-26(17-15-25)27(30)28(3)4/h5-17,21H,18-20H2,1-4H3
InChIKeyIORSFKQVMXKLSW-UHFFFAOYSA-N
MW464.63 g/mol
LogP5.04
Rot. Bonds9

About 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide

4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide (PubChem CID 71622669) has the molecular formula C27H32N2O3S and a molecular weight of 464.63 g/mol. Its IUPAC name is 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide
PubChem CID71622669
Molecular FormulaC27H32N2O3S
Molecular Weight464.63 g/mol
Exact Mass464.21
IUPAC Name4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide
SMILESCC(C)CN(Cc1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C27H32N2O3S/c1-21(2)18-29(33(31,32)20-23-8-6-5-7-9-23)19-22-10-12-24(13-11-22)25-14-16-26(17-15-25)27(30)28(3)4/h5-17,21H,18-20H2,1-4H3
InChIKeyIORSFKQVMXKLSW-UHFFFAOYSA-N
XLogP5.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide
CID 135393499
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]benzamide
CID 130431459
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-2-methyl-benzamide
CID 130431474
4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2904040
1-(4-Methylbenzoyl)-4-(phenylsulfonyl)piperazine
CID 707395
4-{4-[(2R)-2-fluoro-1-(propane-2-sulfonamido)propan-2-yl]phenyl}-N-methylbenzamide
CID 9952446
4-(4-Benzylpiperidine-1-carbonyl)benzenesulfonamide
CID 155569076
N,N'-Dibenzyl-N,N'-diethyl-terephthalamide
CID 1005063
N-biphenyl-4-ylmethyl-N-(2-dibutylamino-ethyl)-4-pentyl-benzamide
CID 10279305
2-[3-[4-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]acetamide
CID 71622670
N-[[4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]phenyl]methyl]acetamide
CID 71622672
4-[4-[[Benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]benzamide
CID 86302482

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide (CID 71622669) is 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide is CC(C)CN(Cc1ccc(-c2ccc(C(=O)N(C)C)cc2)cc1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide?
The InChIKey is IORSFKQVMXKLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3S/c1-21(2)18-29(33(31,32)20-23-8-6-5-7-9-23)19-22-10-12-24(13-11-22)25-14-16-26(17-15-25)27(30)28(3)4/h5-17,21H,18-20H2,1-4H3.
What are the key properties of 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide?
4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide has a molecular weight of 464.63 g/mol, XLogP of 5.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[benzylsulfonyl(2-methylpropyl)amino]methyl]phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 71622669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).