N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide

C24H34N2O3S — CID 70939912

IUPACN-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCCc1cc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc1OC1CCCC1
InChIInChI=1S/C24H34N2O3S/c1-5-19-16-21(14-15-23(19)29-22-8-6-7-9-22)25-17-18-10-12-20(13-11-18)26-30(27,28)24(2,3)4/h10-16,22,25-26H,5-9,17H2,1-4H3
InChIKeyCYCUTTDKUCLJKZ-UHFFFAOYSA-N
MW430.61 g/mol
LogP5.72
Rot. Bonds8

About N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide

N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide (PubChem CID 70939912) has the molecular formula C24H34N2O3S and a molecular weight of 430.61 g/mol. Its IUPAC name is N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
PubChem CID70939912
Molecular FormulaC24H34N2O3S
Molecular Weight430.61 g/mol
Exact Mass430.23
IUPAC NameN-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
SMILESCCc1cc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc1OC1CCCC1
InChIInChI=1S/C24H34N2O3S/c1-5-19-16-21(14-15-23(19)29-22-8-6-7-9-22)25-17-18-10-12-20(13-11-18)26-30(27,28)24(2,3)4/h10-16,22,25-26H,5-9,17H2,1-4H3
InChIKeyCYCUTTDKUCLJKZ-UHFFFAOYSA-N
XLogP5.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.61
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70938934
N-[4-[(3,4-dichloroanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide
CID 70939425
4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939913
1-cyclopentyloxy-2-ethyl-4-[2-[4-(propan-2-ylsulfonylmethyl)cyclohexyl]ethyl]benzene
CID 159200457
N-[4-[(4-cyclopentyloxy-3-ethylanilino)-hydroxymethyl]cyclohexyl]propane-2-sulfonamide
CID 71168776
N-(4-cyclopentyloxy-3-ethylphenyl)-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630560
N-[(2-cyclobutyloxyphenyl)methyl]-3-methylsulfonyl-4-nitroaniline
CID 133402069
N-[(2-cyclopentyloxyphenyl)methyl]-3,4-dimethylaniline
CID 39405460
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
N-[(2-cyclopentyloxy-5-nitrophenyl)methyl]ethanamine
CID 43472722

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide (CID 70939912) is N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide is CCc1cc(NCc2ccc(NS(=O)(=O)C(C)(C)C)cc2)ccc1OC1CCCC1.
What is the InChIKey of N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide?
The InChIKey is CYCUTTDKUCLJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3S/c1-5-19-16-21(14-15-23(19)29-22-8-6-7-9-22)25-17-18-10-12-20(13-11-18)26-30(27,28)24(2,3)4/h10-16,22,25-26H,5-9,17H2,1-4H3.
What are the key properties of N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide?
N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide has a molecular weight of 430.61 g/mol, XLogP of 5.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-cyclopentyloxy-3-ethylanilino)methyl]phenyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70939912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).