N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

C14H23N3O4S — CID 119408093

IUPACN-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCCN)cc1
InChIInChI=1S/C14H23N3O4S/c1-2-21-12-4-6-13(7-5-12)22(19,20)17-11-8-14(18)16-10-3-9-15/h4-7,17H,2-3,8-11,15H2,1H3,(H,16,18)
InChIKeyOXEVWMRUIGMWJZ-UHFFFAOYSA-N
MW329.42 g/mol
LogP0.22
Rot. Bonds10

About N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 119408093) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID119408093
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)NCCCN)cc1
InChIInChI=1S/C14H23N3O4S/c1-2-21-12-4-6-13(7-5-12)22(19,20)17-11-8-14(18)16-10-3-9-15/h4-7,17H,2-3,8-11,15H2,1H3,(H,16,18)
InChIKeyOXEVWMRUIGMWJZ-UHFFFAOYSA-N
XLogP0.22
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
N-(3-aminopropyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119404849
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
N-[2-(2,6-dimethylphenoxy)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55724577
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653177
N-(3-aminopropyl)-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 119408095
3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108574321
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55723405
3-[(4-methoxyphenyl)sulfonylamino]-N-nonylpropanamide
CID 43052252
N-[(2S)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458973
N-[(2R)-butan-2-yl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 2458972
N-(2-aminoethyl)-4-(4-ethoxyphenoxy)butanamide
CID 119382448

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 119408093) is N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)NCCCN)cc1.
What is the InChIKey of N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is OXEVWMRUIGMWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-2-21-12-4-6-13(7-5-12)22(19,20)17-11-8-14(18)16-10-3-9-15/h4-7,17H,2-3,8-11,15H2,1H3,(H,16,18).
What are the key properties of N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 329.42 g/mol, XLogP of 0.22, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 119408093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).