N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide

C18H28N2O3S — CID 1322609

IUPACN-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H28N2O3S/c1-14-10-11-17(15(2)12-14)20(24(3,22)23)13-18(21)19-16-8-6-4-5-7-9-16/h10-12,16H,4-9,13H2,1-3H3,(H,19,21)
InChIKeyLYIRLVPMVQQVAM-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.91
Rot. Bonds5

About N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide

N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide (PubChem CID 1322609) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
PubChem CID1322609
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)c(C)c1
InChIInChI=1S/C18H28N2O3S/c1-14-10-11-17(15(2)12-14)20(24(3,22)23)13-18(21)19-16-8-6-4-5-7-9-16/h10-12,16H,4-9,13H2,1-3H3,(H,19,21)
InChIKeyLYIRLVPMVQQVAM-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[4-(diethylamino)-2-methyl-N-methylsulfonylanilino]acetamide
CID 113157058
N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 816090
N-cyclopropyl-3-(2,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142007
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1208576
N-cyclohexyl-2-(2,4-difluoro-N-methylsulfonylanilino)acetamide
CID 113156765
N-cyclohexyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281968
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 1208475
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 2271321
N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157484
N-cycloheptyl-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249582
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide (CID 1322609) is N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide is Cc1ccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)c(C)c1.
What is the InChIKey of N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is LYIRLVPMVQQVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14-10-11-17(15(2)12-14)20(24(3,22)23)13-18(21)19-16-8-6-4-5-7-9-16/h10-12,16H,4-9,13H2,1-3H3,(H,19,21).
What are the key properties of N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide?
N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 352.50 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1322609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).