2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide

C22H28ClN3O3S — CID 3516813

IUPAC2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28ClN3O3S/c1-25(2)30(28,29)19-8-9-20(23)21(15-19)24-22(27)16-26-12-10-18(11-13-26)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3,(H,24,27)
InChIKeyUCSWKWVBALRWHA-UHFFFAOYSA-N
MW450.00 g/mol
LogP3.48
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide

2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 3516813) has the molecular formula C22H28ClN3O3S and a molecular weight of 450.00 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID3516813
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.00 g/mol
Exact Mass449.15
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28ClN3O3S/c1-25(2)30(28,29)19-8-9-20(23)21(15-19)24-22(27)16-26-12-10-18(11-13-26)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3,(H,24,27)
InChIKeyUCSWKWVBALRWHA-UHFFFAOYSA-N
XLogP3.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[N-(4-Chlorobenzenesulfonyl)-N-(4-dimethylaminobenzyl)amino]-4-methylpentanoic acid amide
CID 59432818
N-benzyl-2-[2-chloro(phenylsulfonyl)anilino]acetamide
CID 1203977
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 4334044
2-(3-acetamidoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4847508
2-[(2,4-dichlorophenyl)(phenylsulfonyl)amino]-N-(phenylethyl)acetamide
CID 2851193
2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-(2,4-difluorophenyl)acetamide
CID 3245716
N-[2-Chloro-4-(toluene-4-sulfonylamino)-phenyl]-2-piperidin-1-yl-acetamide
CID 1147316
N-(2,4-Dichlorophenyl)-2-[N-(2-methylphenyl)4-methylbenzenesulfonamido]acetamide
CID 1248751
N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methyl-N~1~-(5,6,7,8-tetrahydro-1-naphthalenyl)glycinamide
CID 2215872
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2523923
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2697728
2-[(4-chlorophenyl)methyl-methylamino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2698808

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide (CID 3516813) is 2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is UCSWKWVBALRWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3S/c1-25(2)30(28,29)19-8-9-20(23)21(15-19)24-22(27)16-26-12-10-18(11-13-26)14-17-6-4-3-5-7-17/h3-9,15,18H,10-14,16H2,1-2H3,(H,24,27).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide?
2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 450.00 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-[2-chloro-5-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3516813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).