3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide

C17H27N3O4S — CID 7972326

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CN(C)C(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H27N3O4S/c1-5-9-18-16(21)12-20(4)17(22)8-10-19-25(23,24)15-7-6-13(2)14(3)11-15/h6-7,11,19H,5,8-10,12H2,1-4H3,(H,18,21)
InChIKeyWCYORHFTHDVCSF-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.96
Rot. Bonds9

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide (PubChem CID 7972326) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
PubChem CID7972326
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
SMILESCCCNC(=O)CN(C)C(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C17H27N3O4S/c1-5-9-18-16(21)12-20(4)17(22)8-10-19-25(23,24)15-7-6-13(2)14(3)11-15/h6-7,11,19H,5,8-10,12H2,1-4H3,(H,18,21)
InChIKeyWCYORHFTHDVCSF-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

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
3-[(3,4-dimethylphenyl)sulfonylamino]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 55370205
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807517
2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide
CID 47218356
N-[(3,4-difluorophenyl)methyl]-3-[(3,4-dimethylphenyl)sulfonylamino]-N-methylpropanamide
CID 55557770
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide
CID 55957065
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-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2385556
ethyl 4-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 24981712

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide (CID 7972326) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide is CCCNC(=O)CN(C)C(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
The InChIKey is WCYORHFTHDVCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-5-9-18-16(21)12-20(4)17(22)8-10-19-25(23,24)15-7-6-13(2)14(3)11-15/h6-7,11,19H,5,8-10,12H2,1-4H3,(H,18,21).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]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-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide is sourced from PubChem (CID 7972326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).