2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide

C11H11ClF2N2O2S — CID 107769794

IUPAC2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H11ClF2N2O2S/c1-5(17)15-9(4-19)11(18)16-10-7(12)2-6(13)3-8(10)14/h2-3,9,19H,4H2,1H3,(H,15,17)(H,16,18)
InChIKeyKHFUIRUSKIKMSY-UHFFFAOYSA-N
MW308.74 g/mol
LogP1.99
Rot. Bonds4

About 2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide

2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide (PubChem CID 107769794) has the molecular formula C11H11ClF2N2O2S and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide
PubChem CID107769794
Molecular FormulaC11H11ClF2N2O2S
Molecular Weight308.74 g/mol
Exact Mass308.02
IUPAC Name2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C11H11ClF2N2O2S/c1-5(17)15-9(4-19)11(18)16-10-7(12)2-6(13)3-8(10)14/h2-3,9,19H,4H2,1H3,(H,15,17)(H,16,18)
InChIKeyKHFUIRUSKIKMSY-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(carbamoylamino)-N-(3-chloro-4-fluorophenyl)-4-methylsulfanylbutanamide
CID 3943573
(3R)-N-(3-chloro-5-fluorophenyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 162660686
N-(4-chloro-2-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 7597950
N-(2,6-dichlorophenyl)-2-(methylamino)acetamide hydrochloride
CID 16243440
2-(acetylamino)-N-(2-chlorophenyl)-4-(methylsulfonyl)butanamide
CID 3244138
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
Acetanilide, 2',6'-dichloro-2-methylamino-
CID 51924
Cambridge id 6168830
CID 1076761
2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide
CID 2441572
2-(acetylamino)-N-(2-chloro-4-fluorophenyl)-4-(methylsulfonyl)butanamide
CID 3239445
N1-(3-chloro-4-fluorophenyl)-N2-methyloxalamide
CID 7585058
N~1~-(2-chlorophenyl)-N~2~-cyclopentylethanediamide
CID 1714326

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide (CID 107769794) is 2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide is CC(=O)NC(CS)C(=O)Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide?
The InChIKey is KHFUIRUSKIKMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2O2S/c1-5(17)15-9(4-19)11(18)16-10-7(12)2-6(13)3-8(10)14/h2-3,9,19H,4H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide?
2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide has a molecular weight of 308.74 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-chloro-4,6-difluorophenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107769794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).