N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide

C19H26N2O2S — CID 70938934

IUPACN-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCCc1ccc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O2S/c1-5-15-6-10-17(11-7-15)20-14-16-8-12-18(13-9-16)21-24(22,23)19(2,3)4/h6-13,20-21H,5,14H2,1-4H3
InChIKeyYTLWXPBXKCNVEA-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.40
Rot. Bonds6

About N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide

N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide (PubChem CID 70938934) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
PubChem CID70938934
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCCc1ccc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O2S/c1-5-15-6-10-17(11-7-15)20-14-16-8-12-18(13-9-16)21-24(22,23)19(2,3)4/h6-13,20-21H,5,14H2,1-4H3
InChIKeyYTLWXPBXKCNVEA-UHFFFAOYSA-N
XLogP4.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(ethylaminomethyl)phenyl]-2-methylpropane-2-sulfonamide
CID 106911292
N-[4-[(3-fluoroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939384
N-[4-[(3,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939425
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
N-[4-[[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 118376615
N-[4-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 118376755
N-[4-[[4-(2,6-dimethylmorpholin-4-yl)anilino]methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70839201
4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939913
N-[4-(2-bromoethyl)phenyl]-2-methylpropane-2-sulfonamide
CID 114296474
N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939912
N-[4-[(2,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939392
2-methyl-N-[4-(methylamino)phenyl]propane-2-sulfonamide
CID 63689740

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide (CID 70938934) is N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide is CCc1ccc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide?
The InChIKey is YTLWXPBXKCNVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-5-15-6-10-17(11-7-15)20-14-16-8-12-18(13-9-16)21-24(22,23)19(2,3)4/h6-13,20-21H,5,14H2,1-4H3.
What are the key properties of N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide?
N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide has a molecular weight of 346.50 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70938934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).