N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide

C18H23N3O3S — CID 5307596

IUPACN-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H23N3O3S/c1-21(13-17(22)20-15-9-3-2-4-10-15)25(23,24)16-11-5-7-14-8-6-12-19-18(14)16/h5-8,11-12,15H,2-4,9-10,13H2,1H3,(H,20,22)
InChIKeyPPCPYYSYGFFFDW-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.30
Rot. Bonds5

About N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide

N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide (PubChem CID 5307596) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
PubChem CID5307596
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C18H23N3O3S/c1-21(13-17(22)20-15-9-3-2-4-10-15)25(23,24)16-11-5-7-14-8-6-12-19-18(14)16/h5-8,11-12,15H,2-4,9-10,13H2,1H3,(H,20,22)
InChIKeyPPCPYYSYGFFFDW-UHFFFAOYSA-N
XLogP2.30
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide (CID 5307596) is N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide is CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
The InChIKey is PPCPYYSYGFFFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-21(13-17(22)20-15-9-3-2-4-10-15)25(23,24)16-11-5-7-14-8-6-12-19-18(14)16/h5-8,11-12,15H,2-4,9-10,13H2,1H3,(H,20,22).
What are the key properties of N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide?
N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[methyl(quinolin-8-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 5307596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).