3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide

C17H27N3O4S — CID 55370205

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CN(CC)C(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H27N3O4S/c1-5-18-16(21)12-20(6-2)17(22)9-10-19-25(23,24)15-8-7-13(3)14(4)11-15/h7-8,11,19H,5-6,9-10,12H2,1-4H3,(H,18,21)
InChIKeyXUOQMAOTWLNWBG-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.96
Rot. Bonds9

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide (PubChem CID 55370205) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
PubChem CID55370205
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CN(CC)C(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H27N3O4S/c1-5-18-16(21)12-20(6-2)17(22)9-10-19-25(23,24)15-8-7-13(3)14(4)11-15/h7-8,11,19H,5-6,9-10,12H2,1-4H3,(H,18,21)
InChIKeyXUOQMAOTWLNWBG-UHFFFAOYSA-N
XLogP0.96
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]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

3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 7972326
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[2-(tert-butylamino)-2-oxoethyl]-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-ethylpropanamide
CID 55376415
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(2,5-dimethylphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 30482009
2-[ethyl-[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]acetic acid
CID 119206509
ethyl 4-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 24981712
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide
CID 46475956

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide (CID 55370205) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide is CCNC(=O)CN(CC)C(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The InChIKey is XUOQMAOTWLNWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-5-18-16(21)12-20(6-2)17(22)9-10-19-25(23,24)15-8-7-13(3)14(4)11-15/h7-8,11,19H,5-6,9-10,12H2,1-4H3,(H,18,21).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide has a molecular weight of 369.49 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 55370205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).