N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide

C12H14F2N2O2S — CID 47115223

IUPACN-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide
SMILESCC(C)C(Sc1ccc(F)cc1F)C(=O)NC(N)=O
InChIInChI=1S/C12H14F2N2O2S/c1-6(2)10(11(17)16-12(15)18)19-9-4-3-7(13)5-8(9)14/h3-6,10H,1-2H3,(H3,15,16,17,18)
InChIKeySUQADMIHUMVGKD-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.28
Rot. Bonds4

About N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide

N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide (PubChem CID 47115223) has the molecular formula C12H14F2N2O2S and a molecular weight of 288.32 g/mol. Its IUPAC name is N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide
PubChem CID47115223
Molecular FormulaC12H14F2N2O2S
Molecular Weight288.32 g/mol
Exact Mass288.07
IUPAC NameN-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide
SMILESCC(C)C(Sc1ccc(F)cc1F)C(=O)NC(N)=O
InChIInChI=1S/C12H14F2N2O2S/c1-6(2)10(11(17)16-12(15)18)19-9-4-3-7(13)5-8(9)14/h3-6,10H,1-2H3,(H3,15,16,17,18)
InChIKeySUQADMIHUMVGKD-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870554
(2S)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 9046479
2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide
CID 55215053
2-(2-bromophenyl)sulfanyl-N-carbamoyl-3-methylbutanamide
CID 24527832
N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide
CID 42900284
N-carbamoyl-2-[(2,4-difluorophenyl)methylamino]propanamide
CID 55037642
(2S)-N-carbamoyl-2-(2,6-dichlorophenyl)sulfanyl-3-methylbutanamide
CID 7847857
N-carbamoyl-2-(2,5-difluoroanilino)propanamide
CID 43083936
(2R)-N-(2,4-difluorophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 8975147
4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
CID 9046418
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2,4-difluorobenzoate
CID 2638001
2-(2,4-difluorophenyl)sulfanylbutanamide
CID 62899928

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide?
The IUPAC name of N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide (CID 47115223) is N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide.
What is the SMILES notation for N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide?
The canonical SMILES for N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide is CC(C)C(Sc1ccc(F)cc1F)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide?
The InChIKey is SUQADMIHUMVGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2S/c1-6(2)10(11(17)16-12(15)18)19-9-4-3-7(13)5-8(9)14/h3-6,10H,1-2H3,(H3,15,16,17,18).
What are the key properties of N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide?
N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide has a molecular weight of 288.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide is sourced from PubChem (CID 47115223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).