N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide

C13H19FN2OS — CID 107019684

IUPACN-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C13H19FN2OS/c1-3-16(4-2)8-7-15-13(17)10-5-6-11(14)12(18)9-10/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyRYDOAGYOPMDVGO-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.19
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide

N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide (PubChem CID 107019684) has the molecular formula C13H19FN2OS and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide
PubChem CID107019684
Molecular FormulaC13H19FN2OS
Molecular Weight270.37 g/mol
Exact Mass270.12
IUPAC NameN-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(F)c(S)c1
InChIInChI=1S/C13H19FN2OS/c1-3-16(4-2)8-7-15-13(17)10-5-6-11(14)12(18)9-10/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,15,17)
InChIKeyRYDOAGYOPMDVGO-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(diethylamino)ethyl]-4-fluoro-3-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

4-fluoro-N-propyl-3-sulfanylbenzamide
CID 107019371
N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide
CID 43215642
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide
CID 107029487
N-(3-butoxypropyl)-4-fluoro-3-sulfanylbenzamide
CID 107035417
4-fluoro-N-(6-hydroxyhexyl)-3-sulfanylbenzamide
CID 114009456
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
4-fluoro-N-(2-imidazol-1-ylethyl)-3-sulfanylbenzamide
CID 107024935
5-bromo-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 24691608
N-[2-(diethylamino)ethyl]-6-iodonaphthalene-2-carboxamide
CID 24797314

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide (CID 107019684) is N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide is CCN(CC)CCNC(=O)c1ccc(F)c(S)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide?
The InChIKey is RYDOAGYOPMDVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2OS/c1-3-16(4-2)8-7-15-13(17)10-5-6-11(14)12(18)9-10/h5-6,9,18H,3-4,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide?
N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide has a molecular weight of 270.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide is sourced from PubChem (CID 107019684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).