N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C22H30N2O6S — CID 665777

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H30N2O6S/c1-27-19-4-7-21(8-5-19)31(25,26)24(11-10-23-12-14-30-15-13-23)17-18-16-20(28-2)6-9-22(18)29-3/h4-9,16H,10-15,17H2,1-3H3
InChIKeyXTGMQJBTBHLAGW-UHFFFAOYSA-N
MW450.56 g/mol
LogP2.24
Rot. Bonds10

About N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 665777) has the molecular formula C22H30N2O6S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID665777
Molecular FormulaC22H30N2O6S
Molecular Weight450.56 g/mol
Exact Mass450.18
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H30N2O6S/c1-27-19-4-7-21(8-5-19)31(25,26)24(11-10-23-12-14-30-15-13-23)17-18-16-20(28-2)6-9-22(18)29-3/h4-9,16H,10-15,17H2,1-3H3
InChIKeyXTGMQJBTBHLAGW-UHFFFAOYSA-N
XLogP2.24
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(Benzenesulfonyl)-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 1122528
1-(3-Methoxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1131760
1-Benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 660773
1-(2-Methoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122338
N-(2-Methoxy-benzyl)-3-(morpholine-4-sulfonyl)-benzenesulfonamide
CID 648711
N-(3,4-dimethoxybenzyl)-4-methoxy-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 665446
N-Benzyl-N-methyl-4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethoxy]-benzenesulfonamide
CID 1092878
N-benzyl-4-[2-(4-ethyl-1-piperazinyl)-2-oxoethoxy]-N-methylbenzenesulfonamide
CID 1092921
1-(2,5-Dimethoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine
CID 1106577
3-(4-Morpholinylcarbonothioyl)phenyl 4-methoxybenzenesulfonate
CID 2271720
N-Benzyl-4-methoxy-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 3152214
7-(Benzenesulfonyl)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[3.5]nonane
CID 3232725

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 665777) is N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCN2CCOCC2)Cc2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is XTGMQJBTBHLAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O6S/c1-27-19-4-7-21(8-5-19)31(25,26)24(11-10-23-12-14-30-15-13-23)17-18-16-20(28-2)6-9-22(18)29-3/h4-9,16H,10-15,17H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 2.24, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 665777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).