(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide

C10H10F2N2O2S — CID 8870554

IUPAC(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1cc(F)ccc1F)C(=O)NC(N)=O
InChIInChI=1S/C10H10F2N2O2S/c1-5(9(15)14-10(13)16)17-8-4-6(11)2-3-7(8)12/h2-5H,1H3,(H3,13,14,15,16)/t5-/m0/s1
InChIKeyGRGKJYJVPCIPAX-YFKPBYRVSA-N
MW260.26 g/mol
LogP1.64
Rot. Bonds3

About (2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide

(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide (PubChem CID 8870554) has the molecular formula C10H10F2N2O2S and a molecular weight of 260.26 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide
PubChem CID8870554
Molecular FormulaC10H10F2N2O2S
Molecular Weight260.26 g/mol
Exact Mass260.04
IUPAC Name(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1cc(F)ccc1F)C(=O)NC(N)=O
InChIInChI=1S/C10H10F2N2O2S/c1-5(9(15)14-10(13)16)17-8-4-6(11)2-3-7(8)12/h2-5H,1H3,(H3,13,14,15,16)/t5-/m0/s1
InChIKeyGRGKJYJVPCIPAX-YFKPBYRVSA-N
XLogP1.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)sulfanylpropanoic acid
CID 16772336
(2R)-2-(2,5-difluorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 8870293
(2S)-N-(cyclohexylcarbamoyl)-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870587
N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide
CID 47115223
2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide
CID 55215053
(2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide
CID 94217660
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837
N-carbamoyl-2-(2,5-difluoroanilino)propanamide
CID 43083936
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 9062922
(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616394
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43224877
2-(2,5-difluorophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 24500088

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide (CID 8870554) is (2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide is C[C@H](Sc1cc(F)ccc1F)C(=O)NC(N)=O.
What is the InChIKey of (2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide?
The InChIKey is GRGKJYJVPCIPAX-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10F2N2O2S/c1-5(9(15)14-10(13)16)17-8-4-6(11)2-3-7(8)12/h2-5H,1H3,(H3,13,14,15,16)/t5-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide?
(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide has a molecular weight of 260.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 8870554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).