N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide

C21H28N2O3S — CID 18144537

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C21H28N2O3S/c1-2-6-18-9-11-21(12-10-18)27(24,25)22-15-20-17-23(13-14-26-20)16-19-7-4-3-5-8-19/h3-5,7-12,20,22H,2,6,13-17H2,1H3
InChIKeyXMEGZPRTLKEYNI-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.82
Rot. Bonds8

About N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide

N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide (PubChem CID 18144537) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide
PubChem CID18144537
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCC2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C21H28N2O3S/c1-2-6-18-9-11-21(12-10-18)27(24,25)22-15-20-17-23(13-14-26-20)16-19-7-4-3-5-8-19/h3-5,7-12,20,22H,2,6,13-17H2,1H3
InChIKeyXMEGZPRTLKEYNI-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 18144535
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 33487347
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloro-1,3-benzothiazole-6-sulfonamide
CID 71850796
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
N-[(4-benzylmorpholin-2-yl)methyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 18156495
N-[(4-benzylmorpholin-2-yl)methyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 43044118
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27809540
N-[[(2S)-4-acetylmorpholin-2-yl]methyl]-4-butylbenzenesulfonamide
CID 125435531
N-[(4-benzylmorpholin-2-yl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55526641
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24633069

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide (CID 18144537) is N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCC2CN(Cc3ccccc3)CCO2)cc1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide?
The InChIKey is XMEGZPRTLKEYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-2-6-18-9-11-21(12-10-18)27(24,25)22-15-20-17-23(13-14-26-20)16-19-7-4-3-5-8-19/h3-5,7-12,20,22H,2,6,13-17H2,1H3.
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide?
N-[(4-benzylmorpholin-2-yl)methyl]-4-propylbenzenesulfonamide has a molecular weight of 388.53 g/mol, XLogP of 2.82, 8 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]-4-propylbenzenesulfonamide is sourced from PubChem (CID 18144537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).