4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide

C21H26N2O3S — CID 30125482

IUPAC4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-17-5-9-19(10-6-17)21(24)22-14-13-18-7-11-20(12-8-18)27(25,26)23-15-3-2-4-16-23/h5-12H,2-4,13-16H2,1H3,(H,22,24)
InChIKeyYELXMZJQFGOKKZ-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.14
Rot. Bonds6

About 4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide

4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide (PubChem CID 30125482) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
PubChem CID30125482
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-17-5-9-19(10-6-17)21(24)22-14-13-18-7-11-20(12-8-18)27(25,26)23-15-3-2-4-16-23/h5-12H,2-4,13-16H2,1H3,(H,22,24)
InChIKeyYELXMZJQFGOKKZ-UHFFFAOYSA-N
XLogP3.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125401
4-methoxy-3-piperidin-1-ylsulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 100795466
1-(4-methylphenyl)sulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]piperidine-3-carboxamide
CID 133197596
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681854
4-(azepan-1-ylsulfonyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051929
dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
CID 4992823

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide (CID 30125482) is 4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide?
The InChIKey is YELXMZJQFGOKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17-5-9-19(10-6-17)21(24)22-14-13-18-7-11-20(12-8-18)27(25,26)23-15-3-2-4-16-23/h5-12H,2-4,13-16H2,1H3,(H,22,24).
What are the key properties of 4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide?
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 30125482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).