N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C18H24N2O3S — CID 110757747

IUPACN-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C18H24N2O3S/c1-18(2,3)23-16-5-7-17(8-6-16)24(21,22)20(4)14-11-15-9-12-19-13-10-15/h5-10,12-13H,11,14H2,1-4H3
InChIKeyNYWAQHPEKKMBTI-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.12
Rot. Bonds6

About N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide

N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 110757747) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID110757747
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccncc1)S(=O)(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C18H24N2O3S/c1-18(2,3)23-16-5-7-17(8-6-16)24(21,22)20(4)14-11-15-9-12-19-13-10-15/h5-10,12-13H,11,14H2,1-4H3
InChIKeyNYWAQHPEKKMBTI-UHFFFAOYSA-N
XLogP3.12
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757618
3-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 110757356
N-[2-(4-methoxyphenyl)ethyl]-N,4-dimethylbenzenesulfonamide
CID 110288005
N-(dimethylsulfamoyl)-N-methyl-2-pyridin-4-ylethanamine
CID 110755632
4-ethoxy-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 87032847
N-methyl-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 42228000
N-butan-2-yl-4-[methyl(2-pyridin-4-ylethyl)sulfamoyl]benzamide
CID 109059028
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-benzoxazole-6-sulfonamide
CID 110759653
N-methyl-N-(2-pyridin-4-ylethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 47084792
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-sulfonamide
CID 110760413
N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
CID 55103943
4-chloro-N-methyl-2-nitro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 47084790

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 110757747) is N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide is CN(CCc1ccncc1)S(=O)(=O)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is NYWAQHPEKKMBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-18(2,3)23-16-5-7-17(8-6-16)24(21,22)20(4)14-11-15-9-12-19-13-10-15/h5-10,12-13H,11,14H2,1-4H3.
What are the key properties of N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylpropan-2-yl)oxy]-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 110757747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).