2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide

C19H26N2O3S — CID 131902634

IUPAC2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide
SMILESCc1ccc(OCCS(=O)(=O)NC(CC(C)C)c2cccnc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-15(2)13-19(17-5-4-10-20-14-17)21-25(22,23)12-11-24-18-8-6-16(3)7-9-18/h4-10,14-15,19,21H,11-13H2,1-3H3
InChIKeyASKZBSZQBCMQLX-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.48
Rot. Bonds9

About 2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide

2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide (PubChem CID 131902634) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide
PubChem CID131902634
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide
SMILESCc1ccc(OCCS(=O)(=O)NC(CC(C)C)c2cccnc2)cc1
InChIInChI=1S/C19H26N2O3S/c1-15(2)13-19(17-5-4-10-20-14-17)21-25(22,23)12-11-24-18-8-6-16(3)7-9-18/h4-10,14-15,19,21H,11-13H2,1-3H3
InChIKeyASKZBSZQBCMQLX-UHFFFAOYSA-N
XLogP3.48
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)-3-methylbutyl]-1-(4-methylphenyl)methanesulfonamide
CID 46778569
N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]pyrrolidine-1-sulfonamide
CID 125443435
2-chloro-N-[(1S)-1-pyridin-3-ylethyl]ethanesulfonamide
CID 107858694
2-hydroxy-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 79588957
N-[2-(4-methylphenoxy)ethyl]-2-phosphanyloxy-2-pyridin-3-ylethanamine
CID 20620892
N-[2-(4-methoxyphenyl)sulfonyl-2-pyridin-3-ylethyl]-1-(4-methylphenyl)methanesulfonamide
CID 21002175
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)ethanesulfonamide
CID 54972222
2-pyridin-3-yloxyethyl 4-methylbenzenesulfonate
CID 144959689
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
N-[(R)-(3,5-dimethylphenyl)-pyridin-3-ylmethyl]-3-fluoropropane-1-sulfonamide
CID 96529707
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide (CID 131902634) is 2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide is Cc1ccc(OCCS(=O)(=O)NC(CC(C)C)c2cccnc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide?
The InChIKey is ASKZBSZQBCMQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-15(2)13-19(17-5-4-10-20-14-17)21-25(22,23)12-11-24-18-8-6-16(3)7-9-18/h4-10,14-15,19,21H,11-13H2,1-3H3.
What are the key properties of 2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide?
2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(3-methyl-1-pyridin-3-ylbutyl)ethanesulfonamide is sourced from PubChem (CID 131902634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).