N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide

C24H33NO4S — CID 121414113

IUPACN-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)cc2)cc1
InChIInChI=1S/C24H33NO4S/c1-4-20-5-7-22(8-6-20)25(17-19(2)3)30(26,27)24-11-9-23(10-12-24)29-18-21-13-15-28-16-14-21/h5-12,19,21H,4,13-18H2,1-3H3
InChIKeyRCQGVPRZIIVADX-UHFFFAOYSA-N
MW431.60 g/mol
LogP4.91
Rot. Bonds9

About N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide

N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide (PubChem CID 121414113) has the molecular formula C24H33NO4S and a molecular weight of 431.60 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
PubChem CID121414113
Molecular FormulaC24H33NO4S
Molecular Weight431.60 g/mol
Exact Mass431.21
IUPAC NameN-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
SMILESCCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)cc2)cc1
InChIInChI=1S/C24H33NO4S/c1-4-20-5-7-22(8-6-20)25(17-19(2)3)30(26,27)24-11-9-23(10-12-24)29-18-21-13-15-28-16-14-21/h5-12,19,21H,4,13-18H2,1-3H3
InChIKeyRCQGVPRZIIVADX-UHFFFAOYSA-N
XLogP4.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Gsk-2981278
CID 89875987
N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
N-(3,4-Dimethoxybenzenesulphonyl)-1,2,3,4-tetrahydroquinoline
CID 667562
1-[(4-Methoxyphenyl)sulfonyl]-2-methylindoline
CID 2989329
N-ethyl-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 722337
1-(2,3-Dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1147613
N-[(4-ethoxyphenyl)sulfonyl]-N-(4-methylphenyl)glycine
CID 802604
N-(1-Acetyl-1,2,3,4-tetrahydroquinolin-7-YL)-4-ethoxybenzene-1-sulfonamide
CID 7517554
4-Methoxy-N-{3-[4-(p-trifluoromethylphenyl)-piperazin-1-yl]-propyl}-benzenesulfonamide
CID 42635028
N-[(2,2-dimethylchromen-6-yl)methyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 54575619
N-(1-adamantyl)-N-[[4-(diethylamino)phenyl]methyl]-4-methoxybenzenesulfonamide
CID 71583711

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide?
The IUPAC name of N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide (CID 121414113) is N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide is CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(OCC3CCOCC3)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide?
The InChIKey is RCQGVPRZIIVADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4S/c1-4-20-5-7-22(8-6-20)25(17-19(2)3)30(26,27)24-11-9-23(10-12-24)29-18-21-13-15-28-16-14-21/h5-12,19,21H,4,13-18H2,1-3H3.
What are the key properties of N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide?
N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide has a molecular weight of 431.60 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide is sourced from PubChem (CID 121414113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).