N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C20H22N2O2S — CID 55384022

IUPACN-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1ccc(N(CCC#N)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H22N2O2S/c1-16-7-10-19(11-8-16)22(14-4-13-21)25(23,24)20-12-9-17-5-2-3-6-18(17)15-20/h7-12,15H,2-6,14H2,1H3
InChIKeyJLRQSMNANGWGOL-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.98
Rot. Bonds5

About N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 55384022) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID55384022
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCc1ccc(N(CCC#N)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C20H22N2O2S/c1-16-7-10-19(11-8-16)22(14-4-13-21)25(23,24)20-12-9-17-5-2-3-6-18(17)15-20/h7-12,15H,2-6,14H2,1H3
InChIKeyJLRQSMNANGWGOL-UHFFFAOYSA-N
XLogP3.98
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-(4-methylphenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 55627378
N-(2-cyanoethyl)-N-methyl-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanamide
CID 78796839
6-(4-methylphenyl)sulfonyl-1,2,3,4-tetrahydronaphthalene
CID 57430782
4-[4-[2-cyanoethyl-(4-methylphenyl)sulfamoyl]-2-fluorophenoxy]butanoic acid
CID 56532200
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile
CID 115230731
N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 55174736
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191146
N-(2-cyanoethyl)-4-iodo-N-phenylbenzenesulfonamide
CID 3721933
N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 43574607
N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 125081428
2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188189
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 55384022) is N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is JLRQSMNANGWGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-16-7-10-19(11-8-16)22(14-4-13-21)25(23,24)20-12-9-17-5-2-3-6-18(17)15-20/h7-12,15H,2-6,14H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 354.48 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 55384022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).