2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide

C21H35N3O3S — CID 86903062

IUPAC2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
SMILESCCN(C1CCN(CC(=O)NCCc2c(C)cc(C)cc2C)CC1)S(C)(=O)=O
InChIInChI=1S/C21H35N3O3S/c1-6-24(28(5,26)27)19-8-11-23(12-9-19)15-21(25)22-10-7-20-17(3)13-16(2)14-18(20)4/h13-14,19H,6-12,15H2,1-5H3,(H,22,25)
InChIKeyJWBBNPCEAUHISF-UHFFFAOYSA-N
MW409.60 g/mol
LogP2.02
Rot. Bonds8

About 2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide

2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide (PubChem CID 86903062) has the molecular formula C21H35N3O3S and a molecular weight of 409.60 g/mol. Its IUPAC name is 2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
PubChem CID86903062
Molecular FormulaC21H35N3O3S
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC Name2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
SMILESCCN(C1CCN(CC(=O)NCCc2c(C)cc(C)cc2C)CC1)S(C)(=O)=O
InChIInChI=1S/C21H35N3O3S/c1-6-24(28(5,26)27)19-8-11-23(12-9-19)15-21(25)22-10-7-20-17(3)13-16(2)14-18(20)4/h13-14,19H,6-12,15H2,1-5H3,(H,22,25)
InChIKeyJWBBNPCEAUHISF-UHFFFAOYSA-N
XLogP2.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide (CID 86903062) is 2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide is CCN(C1CCN(CC(=O)NCCc2c(C)cc(C)cc2C)CC1)S(C)(=O)=O.
What is the InChIKey of 2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
The InChIKey is JWBBNPCEAUHISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3S/c1-6-24(28(5,26)27)19-8-11-23(12-9-19)15-21(25)22-10-7-20-17(3)13-16(2)14-18(20)4/h13-14,19H,6-12,15H2,1-5H3,(H,22,25).
What are the key properties of 2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide?
2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide has a molecular weight of 409.60 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(methylsulfonyl)amino]piperidin-1-yl]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 86903062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).