(2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide

C17H24F2N2O3S — CID 97098246

IUPAC(2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide
SMILESCCCC[C@H](C(=O)N[C@H](C)c1ccc(F)c(F)c1)N1CCCS1(=O)=O
InChIInChI=1S/C17H24F2N2O3S/c1-3-4-6-16(21-9-5-10-25(21,23)24)17(22)20-12(2)13-7-8-14(18)15(19)11-13/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H,20,22)/t12-,16-/m1/s1
InChIKeyCCBDWVFGMWNDNA-MLGOLLRUSA-N
MW374.45 g/mol
LogP2.74
Rot. Bonds7

About (2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide

(2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide (PubChem CID 97098246) has the molecular formula C17H24F2N2O3S and a molecular weight of 374.45 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide
PubChem CID97098246
Molecular FormulaC17H24F2N2O3S
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC Name(2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide
SMILESCCCC[C@H](C(=O)N[C@H](C)c1ccc(F)c(F)c1)N1CCCS1(=O)=O
InChIInChI=1S/C17H24F2N2O3S/c1-3-4-6-16(21-9-5-10-25(21,23)24)17(22)20-12(2)13-7-8-14(18)15(19)11-13/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H,20,22)/t12-,16-/m1/s1
InChIKeyCCBDWVFGMWNDNA-MLGOLLRUSA-N
XLogP2.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide
CID 97098249
N-[1-(3,4-difluorophenyl)ethyl]butanamide
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N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-phenylpentanamide
CID 31195240
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 43697344
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111432741
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide
CID 81082530
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 51150839
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 60850443
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-methylpentanamide
CID 60847704

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide?
The IUPAC name of (2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide (CID 97098246) is (2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide is CCCC[C@H](C(=O)N[C@H](C)c1ccc(F)c(F)c1)N1CCCS1(=O)=O.
What is the InChIKey of (2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide?
The InChIKey is CCBDWVFGMWNDNA-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H24F2N2O3S/c1-3-4-6-16(21-9-5-10-25(21,23)24)17(22)20-12(2)13-7-8-14(18)15(19)11-13/h7-8,11-12,16H,3-6,9-10H2,1-2H3,(H,20,22)/t12-,16-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide?
(2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide has a molecular weight of 374.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)hexanamide is sourced from PubChem (CID 97098246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).