N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide

C22H28N2O5S — CID 55917319

IUPACN-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)c2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H28N2O5S/c1-16-5-6-17(2)19(13-16)23(3)22(25)15-18-7-8-20(28-4)21(14-18)30(26,27)24-9-11-29-12-10-24/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyIKYSFGADAVCYPP-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.54
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide

N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide (PubChem CID 55917319) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
PubChem CID55917319
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)c2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H28N2O5S/c1-16-5-6-17(2)19(13-16)23(3)22(25)15-18-7-8-20(28-4)21(14-18)30(26,27)24-9-11-29-12-10-24/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyIKYSFGADAVCYPP-UHFFFAOYSA-N
XLogP2.54
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24979442
(4-methylphenyl)methyl 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetate
CID 7213290
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-benzyl-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(3-methylphenyl)acetamide
CID 30797429
ethyl 2-[2-methoxyethyl-[2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetyl]amino]acetate
CID 55726301
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
CID 42905293
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 120507324
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30860230
2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4969625

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide (CID 55917319) is N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide is COc1ccc(CC(=O)N(C)c2cc(C)ccc2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide?
The InChIKey is IKYSFGADAVCYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-16-5-6-17(2)19(13-16)23(3)22(25)15-18-7-8-20(28-4)21(14-18)30(26,27)24-9-11-29-12-10-24/h5-8,13-14H,9-12,15H2,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide?
N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide has a molecular weight of 432.54 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide is sourced from PubChem (CID 55917319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).