3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol

C14H20N2O3S — CID 114812000

IUPAC3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol
SMILESCCCNS(=O)(=O)Nc1ccc(C#CCO)cc1CC
InChIInChI=1S/C14H20N2O3S/c1-3-9-15-20(18,19)16-14-8-7-12(6-5-10-17)11-13(14)4-2/h7-8,11,15-17H,3-4,9-10H2,1-2H3
InChIKeySAWMMJJJJVMXII-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.25
Rot. Bonds6

About 3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol

3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol (PubChem CID 114812000) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol
PubChem CID114812000
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol
SMILESCCCNS(=O)(=O)Nc1ccc(C#CCO)cc1CC
InChIInChI=1S/C14H20N2O3S/c1-3-9-15-20(18,19)16-14-8-7-12(6-5-10-17)11-13(14)4-2/h7-8,11,15-17H,3-4,9-10H2,1-2H3
InChIKeySAWMMJJJJVMXII-UHFFFAOYSA-N
XLogP1.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[3-ethyl-4-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114812002
3-[4-(ethylsulfamoylamino)-3-methylphenyl]prop-2-yn-1-ol
CID 114811692
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361534
4-(3-aminoprop-1-ynyl)-2-ethyl-N-(2-methoxyethylsulfamoyl)aniline
CID 114816553
4-(3-hydroxyprop-1-ynyl)-N-propylbenzenesulfonamide
CID 60824098
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide
CID 60813247
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]heptanamide
CID 114753322
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylcyclopentane-1-carboxamide
CID 81287490
3-[3-(ethylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811666
3-[4-methoxy-3-(methylsulfamoylamino)phenyl]prop-2-yn-1-ol
CID 114811863
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]furan-2-carboxamide
CID 81292049
N-[2-ethyl-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylpentanamide
CID 81292394

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol (CID 114812000) is 3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol is CCCNS(=O)(=O)Nc1ccc(C#CCO)cc1CC.
What is the InChIKey of 3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol?
The InChIKey is SAWMMJJJJVMXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-9-15-20(18,19)16-14-8-7-12(6-5-10-17)11-13(14)4-2/h7-8,11,15-17H,3-4,9-10H2,1-2H3.
What are the key properties of 3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol?
3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol has a molecular weight of 296.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-4-(propylsulfamoylamino)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 114812000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).