N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide

C14H21N3O3S — CID 119465969

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide
SMILESC=CCCCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C14H21N3O3S/c1-2-3-4-8-14(18)17-12-6-5-7-13(11-12)21(19,20)16-10-9-15/h2,5-7,11,16H,1,3-4,8-10,15H2,(H,17,18)
InChIKeyCVVHKJLVRYLHHY-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.22
Rot. Bonds9

About N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide

N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide (PubChem CID 119465969) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide
PubChem CID119465969
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide
SMILESC=CCCCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C14H21N3O3S/c1-2-3-4-8-14(18)17-12-6-5-7-13(11-12)21(19,20)16-10-9-15/h2,5-7,11,16H,1,3-4,8-10,15H2,(H,17,18)
InChIKeyCVVHKJLVRYLHHY-UHFFFAOYSA-N
XLogP1.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide
CID 119465611
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 119260164
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 119465293
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
CID 119466086
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 119465473
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119465372
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(4-chlorothiophen-2-yl)propanamide
CID 119465707
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119465990
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
CID 119465624

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide (CID 119465969) is N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide is C=CCCCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide?
The InChIKey is CVVHKJLVRYLHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-3-4-8-14(18)17-12-6-5-7-13(11-12)21(19,20)16-10-9-15/h2,5-7,11,16H,1,3-4,8-10,15H2,(H,17,18).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide has a molecular weight of 311.41 g/mol, XLogP of 1.22, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide is sourced from PubChem (CID 119465969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).