2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride

C23H32ClN3O4S — CID 10227765

IUPAC2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(CC(=O)N(C)C(CN2CCCC2)c2ccccc2)c1OC.Cl
InChIInChI=1S/C23H31N3O4S.ClH/c1-24-31(28,29)21-13-9-12-19(23(21)30-3)16-22(27)25(2)20(17-26-14-7-8-15-26)18-10-5-4-6-11-18;/h4-6,9-13,20,24H,7-8,14-17H2,1-3H3;1H
InChIKeyKKQREPLZPBTFBZ-UHFFFAOYSA-N
MW482.05 g/mol
LogP2.86
Rot. Bonds9

About 2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride

2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride (PubChem CID 10227765) has the molecular formula C23H32ClN3O4S and a molecular weight of 482.05 g/mol. Its IUPAC name is 2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
PubChem CID10227765
Molecular FormulaC23H32ClN3O4S
Molecular Weight482.05 g/mol
Exact Mass481.18
IUPAC Name2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
SMILESCNS(=O)(=O)c1cccc(CC(=O)N(C)C(CN2CCCC2)c2ccccc2)c1OC.Cl
InChIInChI=1S/C23H31N3O4S.ClH/c1-24-31(28,29)21-13-9-12-19(23(21)30-3)16-22(27)25(2)20(17-26-14-7-8-15-26)18-10-5-4-6-11-18;/h4-6,9-13,20,24H,7-8,14-17H2,1-3H3;1H
InChIKeyKKQREPLZPBTFBZ-UHFFFAOYSA-N
XLogP2.86
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.05
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
CID 10209260
N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 10161182
2-[2-(methanesulfonamido)phenyl]-N-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;methanesulfonic acid
CID 10229395
2-(1-benzofuran-4-yl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 15485674
[2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid
CID 22253496
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
2-(1-benzofuran-4-yl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;sulfane
CID 158181130
ethane;N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 91275660
N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]acetamide
CID 86268866
2-anthracen-9-yl-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
CID 10161599
2-(4-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 10452010

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride (CID 10227765) is 2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride is CNS(=O)(=O)c1cccc(CC(=O)N(C)C(CN2CCCC2)c2ccccc2)c1OC.Cl.
What is the InChIKey of 2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is KKQREPLZPBTFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S.ClH/c1-24-31(28,29)21-13-9-12-19(23(21)30-3)16-22(27)25(2)20(17-26-14-7-8-15-26)18-10-5-4-6-11-18;/h4-6,9-13,20,24H,7-8,14-17H2,1-3H3;1H.
What are the key properties of 2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride?
2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 482.05 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 10227765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).