N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide

C17H24N2O4S — CID 75461843

IUPACN-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide
SMILESCc1ccc(S(C)(=O)=O)c(NC(=O)C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C17H24N2O4S/c1-12-9-10-15(24(2,22)23)14(11-12)19-17(21)16(20)18-13-7-5-3-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDNEWKTAVBFDNRW-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.18
Rot. Bonds3

About N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide

N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide (PubChem CID 75461843) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide
PubChem CID75461843
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide
SMILESCc1ccc(S(C)(=O)=O)c(NC(=O)C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C17H24N2O4S/c1-12-9-10-15(24(2,22)23)14(11-12)19-17(21)16(20)18-13-7-5-3-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyDNEWKTAVBFDNRW-UHFFFAOYSA-N
XLogP2.18
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522760
N-cycloheptyl-N'-(4-methylphenyl)oxamide
CID 2287607
N-cyclododecyl-N'-(4-methylphenyl)oxamide
CID 2924110
N-cyclohexyl-N'-(4-iodo-2-methylphenyl)oxamide
CID 47224422
N-cyclopentyl-N'-(2-methylphenyl)oxamide
CID 2290931
N'-(2-tert-butylphenyl)-N-cycloheptyloxamide
CID 108530177
N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide
CID 82121275
N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 94282724
N-cyclohexyl-N'-(2,5-difluorophenyl)oxamide
CID 7585081
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
N-cycloheptyl-N'-(2,6-dimethylphenyl)oxamide
CID 7541637
N-cyclopentyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 82118308

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide?
The IUPAC name of N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide (CID 75461843) is N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide.
What is the SMILES notation for N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide?
The canonical SMILES for N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide is Cc1ccc(S(C)(=O)=O)c(NC(=O)C(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide?
The InChIKey is DNEWKTAVBFDNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-12-9-10-15(24(2,22)23)14(11-12)19-17(21)16(20)18-13-7-5-3-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide?
N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide has a molecular weight of 352.46 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-(5-methyl-2-methylsulfonylphenyl)oxamide is sourced from PubChem (CID 75461843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).