N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide

C17H22N2O2S — CID 110755749

IUPACN-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
SMILESCCN(CCc1ccncc1)S(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C17H22N2O2S/c1-3-19(12-9-16-7-10-18-11-8-16)22(20,21)14-17-6-4-5-15(2)13-17/h4-8,10-11,13H,3,9,12,14H2,1-2H3
InChIKeyCVWXNUOARBOKAF-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.78
Rot. Bonds7

About N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide

N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide (PubChem CID 110755749) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
PubChem CID110755749
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
SMILESCCN(CCc1ccncc1)S(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C17H22N2O2S/c1-3-19(12-9-16-7-10-18-11-8-16)22(20,21)14-17-6-4-5-15(2)13-17/h4-8,10-11,13H,3,9,12,14H2,1-2H3
InChIKeyCVWXNUOARBOKAF-UHFFFAOYSA-N
XLogP2.78
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-methoxy-2,6-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110755758
N'-ethyl-N-(3-methylphenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108515686
N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide
CID 108984689
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-1-(3-methylphenyl)methanesulfonamide
CID 56792262
N-ethyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110759419
3-[[ethyl(propyl)sulfamoyl]methyl]benzenecarbothioamide
CID 54897325
2-[ethyl-[(3-methylphenyl)methyl]sulfamoyl]acetic acid
CID 60951415
N-(1-aminopropan-2-yl)-N-methyl-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119982474
N-benzyl-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 175361860
N-methyl-3-[[2-(4-methylanilino)-2-oxoethyl]sulfonylmethyl]-N-(2-pyridin-4-ylethyl)benzamide
CID 39076615
3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983762
1-(3-chlorophenyl)-N-ethyl-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 131915599

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide?
The IUPAC name of N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide (CID 110755749) is N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide is CCN(CCc1ccncc1)S(=O)(=O)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide?
The InChIKey is CVWXNUOARBOKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-3-19(12-9-16-7-10-18-11-8-16)22(20,21)14-17-6-4-5-15(2)13-17/h4-8,10-11,13H,3,9,12,14H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide?
N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 110755749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).