N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide

C19H23NO3S — CID 4531956

IUPACN-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide
SMILESCN(C(=O)CS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C19H23NO3S/c1-20(17-9-3-2-4-10-17)19(21)14-24(22,23)18-12-11-15-7-5-6-8-16(15)13-18/h5-8,11-13,17H,2-4,9-10,14H2,1H3
InChIKeyPKFFDGSLMMTAIZ-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.40
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide

N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide (PubChem CID 4531956) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide
PubChem CID4531956
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide
SMILESCN(C(=O)CS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1
InChIInChI=1S/C19H23NO3S/c1-20(17-9-3-2-4-10-17)19(21)14-24(22,23)18-12-11-15-7-5-6-8-16(15)13-18/h5-8,11-13,17H,2-4,9-10,14H2,1H3
InChIKeyPKFFDGSLMMTAIZ-UHFFFAOYSA-N
XLogP3.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-naphthalen-2-ylsulfonylacetamide
CID 56731913
5-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfonyl-2-fluorobenzoic acid
CID 61489074
2-(4-amino-3-chlorophenyl)sulfonyl-N-cyclopropyl-N-methylacetamide
CID 81202470
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
CID 8762225
N-cyclopropyl-N-methyl-2-(naphthalen-2-ylamino)acetamide
CID 61488971
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide
CID 2470223
N,N'-dicyclohexyl-N,N'-dinaphthalen-2-ylbutanediamide
CID 27191176
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-cyclohexyl-N-methylacetamide
CID 42979745
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076157
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]naphthalene-2-sulfonamide chloride
CID 53350941

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide (CID 4531956) is N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide is CN(C(=O)CS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide?
The InChIKey is PKFFDGSLMMTAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-20(17-9-3-2-4-10-17)19(21)14-24(22,23)18-12-11-15-7-5-6-8-16(15)13-18/h5-8,11-13,17H,2-4,9-10,14H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide?
N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide has a molecular weight of 345.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide is sourced from PubChem (CID 4531956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).