3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide

C15H24N2O4S — CID 78843826

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(C)C(C)C)cc1
InChIInChI=1S/C15H24N2O4S/c1-5-21-13-6-8-14(9-7-13)22(19,20)16-11-10-15(18)17(4)12(2)3/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyWGPYMTSCOXMQPR-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.62
Rot. Bonds8

About 3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide

3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide (PubChem CID 78843826) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
PubChem CID78843826
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(C)C(C)C)cc1
InChIInChI=1S/C15H24N2O4S/c1-5-21-13-6-8-14(9-7-13)22(19,20)16-11-10-15(18)17(4)12(2)3/h6-9,12,16H,5,10-11H2,1-4H3
InChIKeyWGPYMTSCOXMQPR-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide;hydrochloride
CID 119660473
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
N-(3-amino-2,2-dimethylpropyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 119656064
N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 36521100
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653177
[2-oxo-2-(propan-2-ylamino)ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 35792599
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide (CID 78843826) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)N(C)C(C)C)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide?
The InChIKey is WGPYMTSCOXMQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-21-13-6-8-14(9-7-13)22(19,20)16-11-10-15(18)17(4)12(2)3/h6-9,12,16H,5,10-11H2,1-4H3.
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide?
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide has a molecular weight of 328.43 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 78843826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).