2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide

C14H19N3O3S — CID 61479211

IUPAC2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C14H19N3O3S/c1-3-16-14(18)11(2)17-21(19,20)13-8-4-6-12(10-13)7-5-9-15/h4,6,8,10-11,17H,3,9,15H2,1-2H3,(H,16,18)
InChIKeyDTDCZJXSRGYSLT-UHFFFAOYSA-N
MW309.39 g/mol
LogP-0.20
Rot. Bonds5

About 2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide

2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide (PubChem CID 61479211) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide
PubChem CID61479211
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NS(=O)(=O)c1cccc(C#CCN)c1
InChIInChI=1S/C14H19N3O3S/c1-3-16-14(18)11(2)17-21(19,20)13-8-4-6-12(10-13)7-5-9-15/h4,6,8,10-11,17H,3,9,15H2,1-2H3,(H,16,18)
InChIKeyDTDCZJXSRGYSLT-UHFFFAOYSA-N
XLogP-0.20
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61466672
2-[[3-(4-hydroxybut-1-ynyl)phenyl]sulfonylamino]-N-methylpropanamide
CID 61466477
2-[[4-(3-aminoprop-1-ynyl)-2-chlorophenyl]sulfonylamino]-N-methylpropanamide
CID 61466088
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810
methyl 2-[[4-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]propanoate
CID 61498035
3-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61466225
(2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 8800873
3-cyano-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994464
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide
CID 94380917
(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 8802711
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide?
The IUPAC name of 2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide (CID 61479211) is 2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide is CCNC(=O)C(C)NS(=O)(=O)c1cccc(C#CCN)c1.
What is the InChIKey of 2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide?
The InChIKey is DTDCZJXSRGYSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-16-14(18)11(2)17-21(19,20)13-8-4-6-12(10-13)7-5-9-15/h4,6,8,10-11,17H,3,9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide?
2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide has a molecular weight of 309.39 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-aminoprop-1-ynyl)phenyl]sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 61479211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).