N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide

C24H33N3O4S — CID 41193840

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
SMILESCOc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C24H33N3O4S/c1-18-9-14-21(32(29,30)26(2)3)16-22(18)25-24(28)17-27-15-7-5-6-8-23(27)19-10-12-20(31-4)13-11-19/h9-14,16,23H,5-8,15,17H2,1-4H3,(H,25,28)/t23-/m1/s1
InChIKeyXBMDIOGDVAWGEG-HSZRJFAPSA-N
MW459.61 g/mol
LogP3.81
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide (PubChem CID 41193840) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
PubChem CID41193840
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
SMILESCOc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1
InChIInChI=1S/C24H33N3O4S/c1-18-9-14-21(32(29,30)26(2)3)16-22(18)25-24(28)17-27-15-7-5-6-8-23(27)19-10-12-20(31-4)13-11-19/h9-14,16,23H,5-8,15,17H2,1-4H3,(H,25,28)/t23-/m1/s1
InChIKeyXBMDIOGDVAWGEG-HSZRJFAPSA-N
XLogP3.81
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 25470768
N-cyclopropyl-2-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetyl]amino]benzamide
CID 9292689
N-(2-methoxy-5-methylphenyl)-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51172175
2-[2-(4-methoxyphenyl)azepan-1-yl]-N-pentan-3-ylacetamide
CID 18094941
N-[[4-(dimethylamino)phenyl]methyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 41083446
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 11931297
2-(4-methoxyphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4796983
2-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 41077132
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 24819945
N-[(2-fluorophenyl)carbamoyl]-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 9292636
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
CID 47117656
N-(5-chloro-2-methylphenyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8831667

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide (CID 41193840) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide is COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide?
The InChIKey is XBMDIOGDVAWGEG-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-18-9-14-21(32(29,30)26(2)3)16-22(18)25-24(28)17-27-15-7-5-6-8-23(27)19-10-12-20(31-4)13-11-19/h9-14,16,23H,5-8,15,17H2,1-4H3,(H,25,28)/t23-/m1/s1.
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide has a molecular weight of 459.61 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide is sourced from PubChem (CID 41193840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).