4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C23H30N2O6S — CID 3619541

IUPAC4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(CN(CCN2CCOCC2)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C23H30N2O6S/c1-18(26)20-5-7-21(8-6-20)32(27,28)25(11-10-24-12-14-31-15-13-24)17-19-4-9-22(29-2)23(16-19)30-3/h4-9,16H,10-15,17H2,1-3H3
InChIKeyWZHOIXFGXDTIED-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.43
Rot. Bonds10

About 4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 3619541) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is 4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID3619541
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC Name4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(CN(CCN2CCOCC2)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C23H30N2O6S/c1-18(26)20-5-7-21(8-6-20)32(27,28)25(11-10-24-12-14-31-15-13-24)17-19-4-9-22(29-2)23(16-19)30-3/h4-9,16H,10-15,17H2,1-3H3
InChIKeyWZHOIXFGXDTIED-UHFFFAOYSA-N
XLogP2.43
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42836806
N-[(3,4-dimethoxyphenyl)methyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113140660
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 3784523
4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42695931
2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42657272
N-(4-acetylphenyl)-N-[(4-methoxyphenyl)methyl]-4-(3-morpholin-4-ylpropoxy)benzenesulfonamide
CID 58896323
3,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzenesulfonamide
CID 90607489
4-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1428959
4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42700349
1-[(3,4-dimethoxyphenyl)methyl]-3-[2,6-di(propan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea
CID 42696198
1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone
CID 82165517
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 3619541) is 4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is COc1ccc(CN(CCN2CCOCC2)S(=O)(=O)c2ccc(C(C)=O)cc2)cc1OC.
What is the InChIKey of 4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is WZHOIXFGXDTIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-18(26)20-5-7-21(8-6-20)32(27,28)25(11-10-24-12-14-31-15-13-24)17-19-4-9-22(29-2)23(16-19)30-3/h4-9,16H,10-15,17H2,1-3H3.
What are the key properties of 4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 462.57 g/mol, XLogP of 2.43, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3619541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).