N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide

C26H32N2O3S — CID 19775330

IUPACN-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide
SMILESCN(Cc1ccc(NS(C)(=O)=O)cc1)C(C)(C)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32N2O3S/c1-26(2,28(3)19-21-15-17-24(18-16-21)27-32(4,29)30)20-31-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,25,27H,19-20H2,1-4H3
InChIKeyPIRYMPPSKBYZLH-UHFFFAOYSA-N
MW452.62 g/mol
LogP5.07
Rot. Bonds10

About N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide

N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide (PubChem CID 19775330) has the molecular formula C26H32N2O3S and a molecular weight of 452.62 g/mol. Its IUPAC name is N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide
PubChem CID19775330
Molecular FormulaC26H32N2O3S
Molecular Weight452.62 g/mol
Exact Mass452.21
IUPAC NameN-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide
SMILESCN(Cc1ccc(NS(C)(=O)=O)cc1)C(C)(C)COC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H32N2O3S/c1-26(2,28(3)19-21-15-17-24(18-16-21)27-32(4,29)30)20-31-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,25,27H,19-20H2,1-4H3
InChIKeyPIRYMPPSKBYZLH-UHFFFAOYSA-N
XLogP5.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.62
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-phenyl}-methanesulfonamide
CID 10184219
4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-phenylamine
CID 10501178
N-(3-Dibenzylamino-2-ethoxymethyl-phenyl)-methanesulfonamide
CID 18512282
(S)-N-phenyl-4-((2-phenylmorpholino)methyl)aniline
CID 44573464
N-(3-(4-propylmorpholin-2-yl)phenyl)methanesulfonamide
CID 44443916
N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 14645114
N-[4-[2-[benzyl(2-phenoxyethyl)amino]ethyl]phenyl]methanesulfonamide
CID 44308344
N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 24815540
N-[4-(4-ethylmorpholin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 24815624
N-[4-(4-ethylmorpholin-2-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 24815815
N-[4-(4-ethylmorpholin-2-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide
CID 24816004
N-[4-(4-ethylmorpholin-2-yl)phenyl]-3,4-difluorobenzenesulfonamide
CID 24816008

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide (CID 19775330) is N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide is CN(Cc1ccc(NS(C)(=O)=O)cc1)C(C)(C)COC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide?
The InChIKey is PIRYMPPSKBYZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3S/c1-26(2,28(3)19-21-15-17-24(18-16-21)27-32(4,29)30)20-31-25(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-18,25,27H,19-20H2,1-4H3.
What are the key properties of N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide?
N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide has a molecular weight of 452.62 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1-benzhydryloxy-2-methylpropan-2-yl)-methylamino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 19775330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).