3-[[4-(propylamino)phenyl]sulfonylamino]propanamide

C12H19N3O3S — CID 62146441

IUPAC3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
SMILESCCCNc1ccc(S(=O)(=O)NCCC(N)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-2-8-14-10-3-5-11(6-4-10)19(17,18)15-9-7-12(13)16/h3-6,14-15H,2,7-9H2,1H3,(H2,13,16)
InChIKeyNSDCKACBQNEBDB-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.66
Rot. Bonds8

About 3-[[4-(propylamino)phenyl]sulfonylamino]propanamide

3-[[4-(propylamino)phenyl]sulfonylamino]propanamide (PubChem CID 62146441) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[[4-(propylamino)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
PubChem CID62146441
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
SMILESCCCNc1ccc(S(=O)(=O)NCCC(N)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-2-8-14-10-3-5-11(6-4-10)19(17,18)15-9-7-12(13)16/h3-6,14-15H,2,7-9H2,1H3,(H2,13,16)
InChIKeyNSDCKACBQNEBDB-UHFFFAOYSA-N
XLogP0.66
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[4-(propylamino)phenyl]sulfonylamino]ethoxy]acetamide
CID 106240983
4-[4-(ethylsulfamoyl)anilino]butanamide
CID 60864144
3-[4-(methylsulfamoyl)anilino]propanamide
CID 43553678
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 62146808
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
4-(6-aminohexylamino)-N-propylbenzenesulfonamide
CID 107844635
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
[4-(propylamino)phenyl]urea
CID 43745026
3-[[4-(2-amino-2-sulfanylideneethyl)phenyl]sulfonylamino]propanamide
CID 79184838

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(propylamino)phenyl]sulfonylamino]propanamide?
The IUPAC name of 3-[[4-(propylamino)phenyl]sulfonylamino]propanamide (CID 62146441) is 3-[[4-(propylamino)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for 3-[[4-(propylamino)phenyl]sulfonylamino]propanamide?
The canonical SMILES for 3-[[4-(propylamino)phenyl]sulfonylamino]propanamide is CCCNc1ccc(S(=O)(=O)NCCC(N)=O)cc1.
What is the InChIKey of 3-[[4-(propylamino)phenyl]sulfonylamino]propanamide?
The InChIKey is NSDCKACBQNEBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-8-14-10-3-5-11(6-4-10)19(17,18)15-9-7-12(13)16/h3-6,14-15H,2,7-9H2,1H3,(H2,13,16).
What are the key properties of 3-[[4-(propylamino)phenyl]sulfonylamino]propanamide?
3-[[4-(propylamino)phenyl]sulfonylamino]propanamide has a molecular weight of 285.37 g/mol, XLogP of 0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(propylamino)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 62146441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).