4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide

C17H21N3O3S — CID 135120365

IUPAC4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)NC(C)c2ccc(C)nc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-4-24(22,23)20-16-9-7-14(8-10-16)17(21)19-13(3)15-6-5-12(2)18-11-15/h5-11,13,20H,4H2,1-3H3,(H,19,21)
InChIKeyMBQBYDJNYMXDKW-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.64
Rot. Bonds6

About 4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide

4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide (PubChem CID 135120365) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
PubChem CID135120365
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)NC(C)c2ccc(C)nc2)cc1
InChIInChI=1S/C17H21N3O3S/c1-4-24(22,23)20-16-9-7-14(8-10-16)17(21)19-13(3)15-6-5-12(2)18-11-15/h5-11,13,20H,4H2,1-3H3,(H,19,21)
InChIKeyMBQBYDJNYMXDKW-UHFFFAOYSA-N
XLogP2.64
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylsulfonylamino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94027949
N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
4-(ethylsulfonylamino)-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 125160684
4-[3-(methoxymethyl)-5-methyl-1H-pyrazol-4-yl]-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 122564550
3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 126452473
3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91760968
N-[(2R)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenyl]sulfanylpyridine-3-carboxamide
CID 92883059
N-[1-[3-[4-(ethylsulfonylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 20972370
N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 95089134
N-[4-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 43508080
4-(ethylsulfonylamino)-N-(2-phenylpropyl)benzamide
CID 133163901
5-(ethylsulfonylamino)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 68960592

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide (CID 135120365) is 4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide is CCS(=O)(=O)Nc1ccc(C(=O)NC(C)c2ccc(C)nc2)cc1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The InChIKey is MBQBYDJNYMXDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-4-24(22,23)20-16-9-7-14(8-10-16)17(21)19-13(3)15-6-5-12(2)18-11-15/h5-11,13,20H,4H2,1-3H3,(H,19,21).
What are the key properties of 4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide?
4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 135120365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).