2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide

C11H14FN3O2S — CID 43303759

IUPAC2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1ccc(N)cc1F
InChIInChI=1S/C11H14FN3O2S/c1-6(10(16)15-11(17)14-2)18-9-4-3-7(13)5-8(9)12/h3-6H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyPAZULPNHAGBTIQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.34
Rot. Bonds3

About 2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide

2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 43303759) has the molecular formula C11H14FN3O2S and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID43303759
Molecular FormulaC11H14FN3O2S
Molecular Weight271.32 g/mol
Exact Mass271.08
IUPAC Name2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Sc1ccc(N)cc1F
InChIInChI=1S/C11H14FN3O2S/c1-6(10(16)15-11(17)14-2)18-9-4-3-7(13)5-8(9)12/h3-6H,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyPAZULPNHAGBTIQ-UHFFFAOYSA-N
XLogP1.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-fluorophenyl)sulfanylpropanamide
CID 43303751
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 43303746
2-(4-amino-2,6-difluorophenyl)sulfanyl-N-methylpropanamide
CID 61360046
(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7458289
2-(2-amino-5-bromophenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79533451
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
2-(2-amino-3-methylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 79147156
N-(3-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345469
2-(2-amino-4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 43304297
(2R)-N-(cyclopentylcarbamoyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975280
2-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid
CID 45282097
4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide
CID 63582597

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide (CID 43303759) is 2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Sc1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is PAZULPNHAGBTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2S/c1-6(10(16)15-11(17)14-2)18-9-4-3-7(13)5-8(9)12/h3-6H,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 271.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 43303759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).