2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide

C16H24N2O3S — CID 844965

IUPAC2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O3S/c1-13-8-10-15(11-9-13)22(20,21)18(12-16(19)17-2)14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,17,19)
InChIKeyZTJICBFQPXSEPM-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.06
Rot. Bonds5

About 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide

2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide (PubChem CID 844965) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide
PubChem CID844965
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide
SMILESCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H24N2O3S/c1-13-8-10-15(11-9-13)22(20,21)18(12-16(19)17-2)14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,17,19)
InChIKeyZTJICBFQPXSEPM-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide?
The IUPAC name of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide (CID 844965) is 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide.
What is the SMILES notation for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide?
The canonical SMILES for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide is CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide?
The InChIKey is ZTJICBFQPXSEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-13-8-10-15(11-9-13)22(20,21)18(12-16(19)17-2)14-6-4-3-5-7-14/h8-11,14H,3-7,12H2,1-2H3,(H,17,19).
What are the key properties of 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide?
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide has a molecular weight of 324.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-methylacetamide is sourced from PubChem (CID 844965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).