2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide

C14H21FN2OS — CID 106040669

IUPAC2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide
SMILESCC(C)N(C)CCCNC(=O)c1cc(S)ccc1F
InChIInChI=1S/C14H21FN2OS/c1-10(2)17(3)8-4-7-16-14(18)12-9-11(19)5-6-13(12)15/h5-6,9-10,19H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyXGGWOFXBUZGOTL-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.57
Rot. Bonds6

About 2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide

2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide (PubChem CID 106040669) has the molecular formula C14H21FN2OS and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide
PubChem CID106040669
Molecular FormulaC14H21FN2OS
Molecular Weight284.40 g/mol
Exact Mass284.14
IUPAC Name2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide
SMILESCC(C)N(C)CCCNC(=O)c1cc(S)ccc1F
InChIInChI=1S/C14H21FN2OS/c1-10(2)17(3)8-4-7-16-14(18)12-9-11(19)5-6-13(12)15/h5-6,9-10,19H,4,7-8H2,1-3H3,(H,16,18)
InChIKeyXGGWOFXBUZGOTL-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide 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

2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide
CID 107028407
N-[2-(dimethylcarbamoylamino)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107034079
2-fluoro-N-hexyl-5-sulfanylbenzamide
CID 107030493
4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033010
N-[4-[methyl(propan-2-yl)amino]butyl]-4-sulfanylbenzamide
CID 107027548
2-fluoro-N-(5-methylsulfanylpentyl)-5-sulfanylbenzamide
CID 114129326
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
3-fluoro-2-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106040313
2-fluoro-5-sulfanyl-N-(5,5,5-trifluoropentyl)benzamide
CID 107033370
N-[2-(carbamoylamino)ethyl]-2-fluoro-5-sulfanylbenzamide
CID 107034092
2-fluoro-N-pentyl-N-propan-2-yl-5-sulfanylbenzamide
CID 107026404
5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide
CID 60706871

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide (CID 106040669) is 2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide is CC(C)N(C)CCCNC(=O)c1cc(S)ccc1F.
What is the InChIKey of 2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide?
The InChIKey is XGGWOFXBUZGOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2OS/c1-10(2)17(3)8-4-7-16-14(18)12-9-11(19)5-6-13(12)15/h5-6,9-10,19H,4,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide?
2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide has a molecular weight of 284.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]-5-sulfanylbenzamide is sourced from PubChem (CID 106040669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).