N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide

C15H23N3O4S — CID 119465611

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide
SMILESC=CCOCCCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C15H23N3O4S/c1-2-10-22-11-4-7-15(19)18-13-5-3-6-14(12-13)23(20,21)17-9-8-16/h2-3,5-6,12,17H,1,4,7-11,16H2,(H,18,19)
InChIKeyKFNQXCXRSFVKFL-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.84
Rot. Bonds11

About N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide (PubChem CID 119465611) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide
PubChem CID119465611
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide
SMILESC=CCOCCCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C15H23N3O4S/c1-2-10-22-11-4-7-15(19)18-13-5-3-6-14(12-13)23(20,21)17-9-8-16/h2-3,5-6,12,17H,1,4,7-11,16H2,(H,18,19)
InChIKeyKFNQXCXRSFVKFL-UHFFFAOYSA-N
XLogP0.84
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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]hex-5-enamide
CID 119465969
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]-2-methoxypropanamide
CID 119466051
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119465990

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide (CID 119465611) is N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide is C=CCOCCCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide?
The InChIKey is KFNQXCXRSFVKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-2-10-22-11-4-7-15(19)18-13-5-3-6-14(12-13)23(20,21)17-9-8-16/h2-3,5-6,12,17H,1,4,7-11,16H2,(H,18,19).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide has a molecular weight of 341.43 g/mol, XLogP of 0.84, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide is sourced from PubChem (CID 119465611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).