N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide

C21H26N2O3S — CID 26912781

IUPACN-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26N2O3S/c1-17-11-12-19(21(24)22(2)16-18-9-5-3-6-10-18)15-20(17)27(25,26)23-13-7-4-8-14-23/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3
InChIKeyGCROUWZQANQTNW-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.44
Rot. Bonds5

About N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide

N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 26912781) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID26912781
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26N2O3S/c1-17-11-12-19(21(24)22(2)16-18-9-5-3-6-10-18)15-20(17)27(25,26)23-13-7-4-8-14-23/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3
InChIKeyGCROUWZQANQTNW-UHFFFAOYSA-N
XLogP3.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 99956878
N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742269
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 42968641
N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1331917
N-[(4-ethylphenyl)methyl]-4-fluoro-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 34890345
N-[(5-bromo-2-methoxyphenyl)methyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 17426865
4-fluoro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26619396
N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide
CID 26904308
N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27665708
4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide
CID 9227291
2-[benzyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8901179

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide (CID 26912781) is N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is GCROUWZQANQTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17-11-12-19(21(24)22(2)16-18-9-5-3-6-10-18)15-20(17)27(25,26)23-13-7-4-8-14-23/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3.
What are the key properties of N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide?
N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26912781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).