N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide

C22H26BrN3O6S — CID 42905293

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26BrN3O6S/c1-25(15-21(27)24-18-6-4-3-5-17(18)23)22(28)14-16-7-8-19(31-2)20(13-16)33(29,30)26-9-11-32-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyCSVVSOKIUTZVEJ-UHFFFAOYSA-N
MW540.44 g/mol
LogP2.12
Rot. Bonds8

About N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide

N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide (PubChem CID 42905293) has the molecular formula C22H26BrN3O6S and a molecular weight of 540.44 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
PubChem CID42905293
Molecular FormulaC22H26BrN3O6S
Molecular Weight540.44 g/mol
Exact Mass539.07
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H26BrN3O6S/c1-25(15-21(27)24-18-6-4-3-5-17(18)23)22(28)14-16-7-8-19(31-2)20(13-16)33(29,30)26-9-11-32-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyCSVVSOKIUTZVEJ-UHFFFAOYSA-N
XLogP2.12
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide with MolForge

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Related Compounds

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 24979442
N-(3-bromophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 29169210
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
N-(2,5-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
CID 55917319
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8503043
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 30860230
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-(N-methylanilino)acetamide
CID 8689778
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 30887082
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-prop-2-enylacetamide
CID 35017947
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide (CID 42905293) is N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide is COc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide?
The InChIKey is CSVVSOKIUTZVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrN3O6S/c1-25(15-21(27)24-18-6-4-3-5-17(18)23)22(28)14-16-7-8-19(31-2)20(13-16)33(29,30)26-9-11-32-12-10-26/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide has a molecular weight of 540.44 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide is sourced from PubChem (CID 42905293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).