N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride

C22H30ClN3O3S — CID 10161182

IUPACN-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(C(CN2CCCC2)N(C)C(=O)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C22H29N3O3S.ClH/c1-23-29(27,28)20-12-10-19(11-13-20)21(17-25-14-6-7-15-25)24(2)22(26)16-18-8-4-3-5-9-18;/h3-5,8-13,21,23H,6-7,14-17H2,1-2H3;1H
InChIKeyRYFZVBQIKBMBJD-UHFFFAOYSA-N
MW452.02 g/mol
LogP2.85
Rot. Bonds8

About N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride

N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride (PubChem CID 10161182) has the molecular formula C22H30ClN3O3S and a molecular weight of 452.02 g/mol. Its IUPAC name is N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
PubChem CID10161182
Molecular FormulaC22H30ClN3O3S
Molecular Weight452.02 g/mol
Exact Mass451.17
IUPAC NameN-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
SMILESCNS(=O)(=O)c1ccc(C(CN2CCCC2)N(C)C(=O)Cc2ccccc2)cc1.Cl
InChIInChI=1S/C22H29N3O3S.ClH/c1-23-29(27,28)20-12-10-19(11-13-20)21(17-25-14-6-7-15-25)24(2)22(26)16-18-8-4-3-5-9-18;/h3-5,8-13,21,23H,6-7,14-17H2,1-2H3;1H
InChIKeyRYFZVBQIKBMBJD-UHFFFAOYSA-N
XLogP2.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.02
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-(4-aminophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 10452010
2-[2-methoxy-3-(methylsulfamoyl)phenyl]-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide;hydrochloride
CID 10227765
N-methyl-2-[2-(methylsulfamoyl)phenyl]-N-[1-[3-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
CID 10209260
N-methyl-2-(4-nitrophenyl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 10109550
N-methyl-2-(3-methylphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 118927562
2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 138739466
2-[2-(methanesulfonamido)phenyl]-N-methyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide;methanesulfonic acid
CID 10229395
[2-[2-[methyl-(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]methylcarbamic acid
CID 22253496

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride?
The IUPAC name of N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride (CID 10161182) is N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride?
The canonical SMILES for N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride is CNS(=O)(=O)c1ccc(C(CN2CCCC2)N(C)C(=O)Cc2ccccc2)cc1.Cl.
What is the InChIKey of N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride?
The InChIKey is RYFZVBQIKBMBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S.ClH/c1-23-29(27,28)20-12-10-19(11-13-20)21(17-25-14-6-7-15-25)24(2)22(26)16-18-8-4-3-5-9-18;/h3-5,8-13,21,23H,6-7,14-17H2,1-2H3;1H.
What are the key properties of N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride?
N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride has a molecular weight of 452.02 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[4-(methylsulfamoyl)phenyl]-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride is sourced from PubChem (CID 10161182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).