N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

C18H21N3O4S — CID 77083145

IUPACN-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCC1=CCN(C(=O)c2cccc(S(=O)(=O)N(C)Cc3ccon3)c2)CC1
InChIInChI=1S/C18H21N3O4S/c1-14-6-9-21(10-7-14)18(22)15-4-3-5-17(12-15)26(23,24)20(2)13-16-8-11-25-19-16/h3-6,8,11-12H,7,9-10,13H2,1-2H3
InChIKeyLDWGWFFWIYSRAI-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.29
Rot. Bonds5

About N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 77083145) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID77083145
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCC1=CCN(C(=O)c2cccc(S(=O)(=O)N(C)Cc3ccon3)c2)CC1
InChIInChI=1S/C18H21N3O4S/c1-14-6-9-21(10-7-14)18(22)15-4-3-5-17(12-15)26(23,24)20(2)13-16-8-11-25-19-16/h3-6,8,11-12H,7,9-10,13H2,1-2H3
InChIKeyLDWGWFFWIYSRAI-UHFFFAOYSA-N
XLogP2.29
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-N-methyl-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 97192562
[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 99933138
3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzoic acid
CID 113352939
3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 77091569
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 72851775
N-methoxy-N-methyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 38168338
N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677161
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 113352940
(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38295435
3-[(3R)-3-methoxypiperidine-1-carbonyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 99951403
N,N-dimethyl-3-(2-methylmorpholine-4-carbonyl)benzenesulfonamide
CID 51293136

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 77083145) is N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is CC1=CCN(C(=O)c2cccc(S(=O)(=O)N(C)Cc3ccon3)c2)CC1.
What is the InChIKey of N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is LDWGWFFWIYSRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-14-6-9-21(10-7-14)18(22)15-4-3-5-17(12-15)26(23,24)20(2)13-16-8-11-25-19-16/h3-6,8,11-12H,7,9-10,13H2,1-2H3.
What are the key properties of N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 77083145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).