[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate

C19H18F2N2O4S — CID 7752627

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate
SMILESC[C@@H](OC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)NC(N)=O
InChIInChI=1S/C19H18F2N2O4S/c1-11(18(25)23-19(22)26)27-16(24)10-28-17(12-2-6-14(20)7-3-12)13-4-8-15(21)9-5-13/h2-9,11,17H,10H2,1H3,(H3,22,23,25,26)/t11-/m1/s1
InChIKeyGIQRSFGOKNFIJA-LLVKDONJSA-N
MW408.43 g/mol
LogP2.91
Rot. Bonds7

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate (PubChem CID 7752627) has the molecular formula C19H18F2N2O4S and a molecular weight of 408.43 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate
PubChem CID7752627
Molecular FormulaC19H18F2N2O4S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate
SMILESC[C@@H](OC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)NC(N)=O
InChIInChI=1S/C19H18F2N2O4S/c1-11(18(25)23-19(22)26)27-16(24)10-28-17(12-2-6-14(20)7-3-12)13-4-8-15(21)9-5-13/h2-9,11,17H,10H2,1H3,(H3,22,23,25,26)/t11-/m1/s1
InChIKeyGIQRSFGOKNFIJA-LLVKDONJSA-N
XLogP2.91
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
CID 7752701
[(1R)-1-cyanoethyl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate
CID 7752634
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 16540114
(2-amino-2-oxoethyl) 2-[bis(4-fluorophenyl)methylsulfanyl]acetate
CID 7752640
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetate
CID 7752693
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate
CID 42974348
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2,4-difluorobenzoate
CID 2638001
2-[bis(4-fluorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 34233996
methyl 2-[2-amino-1-(4-fluorophenyl)propyl]sulfanylacetate
CID 55014890
(2R)-N-carbamoyl-2-[(1R)-1-(4-fluorophenyl)ethyl]sulfanylpropanamide
CID 94217660
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-bromo-5-fluorobenzoate
CID 8987330
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 7907593

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate (CID 7752627) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate is C[C@@H](OC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate?
The InChIKey is GIQRSFGOKNFIJA-LLVKDONJSA-N. The full InChI is InChI=1S/C19H18F2N2O4S/c1-11(18(25)23-19(22)26)27-16(24)10-28-17(12-2-6-14(20)7-3-12)13-4-8-15(21)9-5-13/h2-9,11,17H,10H2,1H3,(H3,22,23,25,26)/t11-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate has a molecular weight of 408.43 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[bis(4-fluorophenyl)methylsulfanyl]acetate is sourced from PubChem (CID 7752627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).