N-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C17H26N2O3S — CID 894303

IUPACN-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)NC2CCCC2)c(C)c1
InChIInChI=1S/C17H26N2O3S/c1-12-9-13(2)17(14(3)10-12)23(21,22)19(4)11-16(20)18-15-7-5-6-8-15/h9-10,15H,5-8,11H2,1-4H3,(H,18,20)
InChIKeyCMJIHIARERMGIX-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.29
Rot. Bonds5

About N-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 894303) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID894303
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)N(C)CC(=O)NC2CCCC2)c(C)c1
InChIInChI=1S/C17H26N2O3S/c1-12-9-13(2)17(14(3)10-12)23(21,22)19(4)11-16(20)18-15-7-5-6-8-15/h9-10,15H,5-8,11H2,1-4H3,(H,18,20)
InChIKeyCMJIHIARERMGIX-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
N~1~-cyclopropyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 894343
N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 2560197
2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4787641
4-((2,4-Dimethylphenyl)sulfonyl)piperazin-2-one
CID 8321458
N-cyclohexyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1090889
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918
N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26697387
N-Cycloheptyl-1-((2,4-dimethylphenyl)sulfonyl)piperidine-4-carboxamide
CID 26711777
2-[Methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 893790
N~1~-cycloheptyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 894193
N,2,4,6-tetramethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 969832

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 894303) is N-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)NC2CCCC2)c(C)c1.
What is the InChIKey of N-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is CMJIHIARERMGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-12-9-13(2)17(14(3)10-12)23(21,22)19(4)11-16(20)18-15-7-5-6-8-15/h9-10,15H,5-8,11H2,1-4H3,(H,18,20).
What are the key properties of N-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 338.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 894303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).