N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide

C15H24N2O4S — CID 51233702

IUPACN-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O4S/c1-6-21-12-7-9-13(10-8-12)22(19,20)17-11(2)14(18)16-15(3,4)5/h7-11,17H,6H2,1-5H3,(H,16,18)
InChIKeyGTVNOLFEYFPBFB-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.67
Rot. Bonds6

About N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide

N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 51233702) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID51233702
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O4S/c1-6-21-12-7-9-13(10-8-12)22(19,20)17-11(2)14(18)16-15(3,4)5/h7-11,17H,6H2,1-5H3,(H,16,18)
InChIKeyGTVNOLFEYFPBFB-UHFFFAOYSA-N
XLogP1.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891417
(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40563910
2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 4234140
(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935293
(2R)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28549425
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
N-[(2S)-1-[2-(4-ethoxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide
CID 9327605
(2R)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 28561746
(2S)-2-[(4-ethoxyphenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]propanamide
CID 28549435
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43872765
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 126397145
(2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 94812873

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 51233702) is N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NC(C)C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is GTVNOLFEYFPBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-6-21-12-7-9-13(10-8-12)22(19,20)17-11(2)14(18)16-15(3,4)5/h7-11,17H,6H2,1-5H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide?
N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 328.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 51233702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).