N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C14H19NO3S — CID 60545524

IUPACN-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H19NO3S/c1-19(17,18)9-8-15-14(16)13-7-6-11-4-2-3-5-12(11)10-13/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyKXMKTWJFNYKQPK-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.34
Rot. Bonds4

About N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 60545524) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID60545524
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H19NO3S/c1-19(17,18)9-8-15-14(16)13-7-6-11-4-2-3-5-12(11)10-13/h6-7,10H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyKXMKTWJFNYKQPK-UHFFFAOYSA-N
XLogP1.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide;hydrochloride
CID 119382194
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
N-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95903042
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 90651661
N-(5-hydroxy-4-methylpentyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103861739
4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide
CID 54931961
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971
N-(2-methylsulfonylethyl)-4-sulfanylbenzamide
CID 107023639
N-(3-hydroxy-2-methylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 65037202
N-(2-cyclopentylsulfanylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706753

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 60545524) is N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CS(=O)(=O)CCNC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KXMKTWJFNYKQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-19(17,18)9-8-15-14(16)13-7-6-11-4-2-3-5-12(11)10-13/h6-7,10H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 60545524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).