N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

C18H28N2O3S — CID 113056759

IUPACN-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)cc1)C1CCCCCC1
InChIInChI=1S/C18H28N2O3S/c1-15-9-11-18(12-10-15)24(22,23)19-13-14-20(16(2)21)17-7-5-3-4-6-8-17/h9-12,17,19H,3-8,13-14H2,1-2H3
InChIKeyJYZMXBMZMSKPIB-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.84
Rot. Bonds6

About N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide

N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113056759) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113056759
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)cc1)C1CCCCCC1
InChIInChI=1S/C18H28N2O3S/c1-15-9-11-18(12-10-15)24(22,23)19-13-14-20(16(2)21)17-7-5-3-4-6-8-17/h9-12,17,19H,3-8,13-14H2,1-2H3
InChIKeyJYZMXBMZMSKPIB-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052852
N-[4-[2-[acetyl(cyclopentyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113052884
N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113052187
N-cyclohexyl-N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052998
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane
CID 160936209
N-[2-[acetyl(cyclohexyl)amino]ethyl]-4-methylbenzamide
CID 113052915
N-cyclopropyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113052189
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052047
N-cyclopentyl-N-[2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]ethyl]acetamide
CID 113052888
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053462
N-(2-methoxyethyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113053213

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide (CID 113056759) is N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(C)cc1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is JYZMXBMZMSKPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-15-9-11-18(12-10-15)24(22,23)19-13-14-20(16(2)21)17-7-5-3-4-6-8-17/h9-12,17,19H,3-8,13-14H2,1-2H3.
What are the key properties of N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide?
N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 352.50 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113056759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).