N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide

C11H14FNOS — CID 107027159

IUPACN-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
SMILESCCN(C(=O)CCS)c1cccc(F)c1
InChIInChI=1S/C11H14FNOS/c1-2-13(11(14)6-7-15)10-5-3-4-9(12)8-10/h3-5,8,15H,2,6-7H2,1H3
InChIKeyCWFRQEVFIUSYQX-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.50
Rot. Bonds4

About N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide

N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide (PubChem CID 107027159) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
PubChem CID107027159
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC NameN-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide
SMILESCCN(C(=O)CCS)c1cccc(F)c1
InChIInChI=1S/C11H14FNOS/c1-2-13(11(14)6-7-15)10-5-3-4-9(12)8-10/h3-5,8,15H,2,6-7H2,1H3
InChIKeyCWFRQEVFIUSYQX-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetylphenoxy)-N-ethyl-N-(3-fluorophenyl)butanamide
CID 112817531
N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide
CID 107027712
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(3-fluorophenyl)acetamide
CID 104678073
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
4-amino-N-ethyl-N-(3-fluorophenyl)cyclopent-2-ene-1-carboxamide
CID 79207504
N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
N-ethyl-2-fluoro-N-(3-fluorophenyl)-4-methylbenzamide
CID 79769914
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970
2-amino-N-ethyl-N-(3-fluorophenyl)-3-methylpentanamide
CID 76924070
N-ethyl-N-(3-fluorophenyl)-2,4-dihydroxy-5-propan-2-ylbenzamide
CID 146316508
3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide (CID 107027159) is N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide is CCN(C(=O)CCS)c1cccc(F)c1.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide?
The InChIKey is CWFRQEVFIUSYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c1-2-13(11(14)6-7-15)10-5-3-4-9(12)8-10/h3-5,8,15H,2,6-7H2,1H3.
What are the key properties of N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide?
N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide has a molecular weight of 227.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107027159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).