N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide

C20H35N3O5S — CID 59826455

IUPACN,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cccc(CNCCCN2CCOCC2)c1
InChIInChI=1S/C20H35N3O5S/c1-26-13-11-23(12-14-27-2)29(24,25)20-6-3-5-19(17-20)18-21-7-4-8-22-9-15-28-16-10-22/h3,5-6,17,21H,4,7-16,18H2,1-2H3
InChIKeyQHSPYROBRYRPIB-UHFFFAOYSA-N
MW429.58 g/mol
LogP0.78
Rot. Bonds14

About N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide

N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide (PubChem CID 59826455) has the molecular formula C20H35N3O5S and a molecular weight of 429.58 g/mol. Its IUPAC name is N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide
PubChem CID59826455
Molecular FormulaC20H35N3O5S
Molecular Weight429.58 g/mol
Exact Mass429.23
IUPAC NameN,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)c1cccc(CNCCCN2CCOCC2)c1
InChIInChI=1S/C20H35N3O5S/c1-26-13-11-23(12-14-27-2)29(24,25)20-6-3-5-19(17-20)18-21-7-4-8-22-9-15-28-16-10-22/h3,5-6,17,21H,4,7-16,18H2,1-2H3
InChIKeyQHSPYROBRYRPIB-UHFFFAOYSA-N
XLogP0.78
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.58
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(diethylaminomethyl)-N-methylbenzenesulfonamide;N-benzyl-N-methyl-3-[(2-morpholin-4-ylethylamino)methyl]benzenesulfonamide;N-benzyl-N-methyl-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide;N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(4-methylpiperazin-1-yl)methyl]benzenesulfonamide;N-[4-[2-(diethylamino)ethoxy]phenyl]-3-[(4-propan-2-ylpiperazin-1-yl)methyl]benzenesulfonamide
CID 159648316
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
N-[(3-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053091
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241589
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3160557
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
4-[(3-morpholin-4-ylpropylamino)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 91407227
2-methoxy-4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 106787055

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide?
The IUPAC name of N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide (CID 59826455) is N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide?
The canonical SMILES for N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide is COCCN(CCOC)S(=O)(=O)c1cccc(CNCCCN2CCOCC2)c1.
What is the InChIKey of N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide?
The InChIKey is QHSPYROBRYRPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O5S/c1-26-13-11-23(12-14-27-2)29(24,25)20-6-3-5-19(17-20)18-21-7-4-8-22-9-15-28-16-10-22/h3,5-6,17,21H,4,7-16,18H2,1-2H3.
What are the key properties of N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide?
N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide has a molecular weight of 429.58 g/mol, XLogP of 0.78, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methoxyethyl)-3-[(3-morpholin-4-ylpropylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 59826455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).