2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide

C24H34N2O5S — CID 70155786

IUPAC2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide
SMILESCCNC(CC)COc1ccc(CC(C)(C(N)=O)S(=O)(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C24H34N2O5S/c1-5-19(26-6-2)17-31-21-10-8-18(9-11-21)16-24(4,23(25)27)32(28,29)22-14-12-20(13-15-22)30-7-3/h8-15,19,26H,5-7,16-17H2,1-4H3,(H2,25,27)
InChIKeyPHLOUBMGCOQLSX-UHFFFAOYSA-N
MW462.61 g/mol
LogP3.11
Rot. Bonds13

About 2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide

2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide (PubChem CID 70155786) has the molecular formula C24H34N2O5S and a molecular weight of 462.61 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide
PubChem CID70155786
Molecular FormulaC24H34N2O5S
Molecular Weight462.61 g/mol
Exact Mass462.22
IUPAC Name2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide
SMILESCCNC(CC)COc1ccc(CC(C)(C(N)=O)S(=O)(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C24H34N2O5S/c1-5-19(26-6-2)17-31-21-10-8-18(9-11-21)16-24(4,23(25)27)32(28,29)22-14-12-20(13-15-22)30-7-3/h8-15,19,26H,5-7,16-17H2,1-4H3,(H2,25,27)
InChIKeyPHLOUBMGCOQLSX-UHFFFAOYSA-N
XLogP3.11
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-ethoxyphenyl)methylamino]butyl acetate
CID 82533219
3-[4-[1-(diethylamino)ethoxy]phenyl]-2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methylpropanamide
CID 18431233
ethyl 2-(4-methoxyphenyl)sulfonyl-2-methyl-3-phenylpropanoate
CID 10948439
2-(4-ethoxyphenyl)sulfonyl-N-hydroxy-2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
CID 45357244
N-ethyl-1-(4-fluorophenoxy)butan-2-amine
CID 62038922
(4-ethoxyphenyl)sulfonylformamide
CID 117038031
2-(ethylamino)-3-[4-(hydroxymethyl)phenoxy]propan-1-ol
CID 64808726
methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate
CID 116927544
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
2-[(4-ethoxyphenyl)sulfonylamino]oxyacetamide
CID 112673488
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 51233702
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide (CID 70155786) is 2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide is CCNC(CC)COc1ccc(CC(C)(C(N)=O)S(=O)(=O)c2ccc(OCC)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide?
The InChIKey is PHLOUBMGCOQLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5S/c1-5-19(26-6-2)17-31-21-10-8-18(9-11-21)16-24(4,23(25)27)32(28,29)22-14-12-20(13-15-22)30-7-3/h8-15,19,26H,5-7,16-17H2,1-4H3,(H2,25,27).
What are the key properties of 2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide?
2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide has a molecular weight of 462.61 g/mol, XLogP of 3.11, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)sulfonyl-3-[4-[2-(ethylamino)butoxy]phenyl]-2-methylpropanamide is sourced from PubChem (CID 70155786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).