N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide

C22H26N2O3S — CID 18156495

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCC1CN(Cc2ccccc2)CCO1)C1=Cc2ccccc2CC1
InChIInChI=1S/C22H26N2O3S/c25-28(26,22-11-10-19-8-4-5-9-20(19)14-22)23-15-21-17-24(12-13-27-21)16-18-6-2-1-3-7-18/h1-9,14,21,23H,10-13,15-17H2
InChIKeyINTFYPQHGCFHDJ-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.79
Rot. Bonds6

About N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide

N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 18156495) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID18156495
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCC1CN(Cc2ccccc2)CCO1)C1=Cc2ccccc2CC1
InChIInChI=1S/C22H26N2O3S/c25-28(26,22-11-10-19-8-4-5-9-20(19)14-22)23-15-21-17-24(12-13-27-21)16-18-6-2-1-3-7-18/h1-9,14,21,23H,10-13,15-17H2
InChIKeyINTFYPQHGCFHDJ-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 33487347
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 18144535
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide
CID 18144537
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloro-1,3-benzothiazole-6-sulfonamide
CID 71850796
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
N-[(4-benzylmorpholin-2-yl)methyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 43044118
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
1-(4-benzylmorpholin-2-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 174500358
N-[(4-benzylmorpholin-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55526641
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27809540
2-(benzimidazol-1-yl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]ethanesulfonamide
CID 33487644

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide (CID 18156495) is N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide is O=S(=O)(NCC1CN(Cc2ccccc2)CCO1)C1=Cc2ccccc2CC1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is INTFYPQHGCFHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-28(26,22-11-10-19-8-4-5-9-20(19)14-22)23-15-21-17-24(12-13-27-21)16-18-6-2-1-3-7-18/h1-9,14,21,23H,10-13,15-17H2.
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide?
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 398.53 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 18156495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).