3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide

C13H20FN3O3S — CID 61139821

IUPAC3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide
SMILESCCN(CCCNC(=O)c1ccc(F)c(N)c1)S(C)(=O)=O
InChIInChI=1S/C13H20FN3O3S/c1-3-17(21(2,19)20)8-4-7-16-13(18)10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18)
InChIKeyYVWXNLJJQIRWOE-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.81
Rot. Bonds7

About 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide

3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide (PubChem CID 61139821) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide
PubChem CID61139821
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide
SMILESCCN(CCCNC(=O)c1ccc(F)c(N)c1)S(C)(=O)=O
InChIInChI=1S/C13H20FN3O3S/c1-3-17(21(2,19)20)8-4-7-16-13(18)10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18)
InChIKeyYVWXNLJJQIRWOE-UHFFFAOYSA-N
XLogP0.81
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-fluoro-N-octylbenzamide
CID 115565836
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-3-carboxamide
CID 63977817
4-bromo-3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 80974274
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065382
3-amino-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 55097599
5-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61289684
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylbenzamide
CID 61139442
6-(diethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]pyridine-3-carboxamide
CID 48679346
1-ethyl-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzotriazole-5-carboxamide
CID 60552393
4-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-1H-pyrazole-5-carboxamide
CID 63103781
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535
3-amino-4-fluoro-N-pent-3-ynylbenzamide
CID 116642578

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide?
The IUPAC name of 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide (CID 61139821) is 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide.
What is the SMILES notation for 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide?
The canonical SMILES for 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide is CCN(CCCNC(=O)c1ccc(F)c(N)c1)S(C)(=O)=O.
What is the InChIKey of 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide?
The InChIKey is YVWXNLJJQIRWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-3-17(21(2,19)20)8-4-7-16-13(18)10-5-6-11(14)12(15)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide?
3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide has a molecular weight of 317.39 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]-4-fluorobenzamide is sourced from PubChem (CID 61139821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).