[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate

C14H20N2O4S2 — CID 8506554

IUPAC[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
SMILESCC[C@@H](C)NC(=O)NC(=O)COC(=O)CSCc1cccs1
InChIInChI=1S/C14H20N2O4S2/c1-3-10(2)15-14(19)16-12(17)7-20-13(18)9-21-8-11-5-4-6-22-11/h4-6,10H,3,7-9H2,1-2H3,(H2,15,16,17,19)/t10-/m1/s1
InChIKeyYBLIWHFKNFUUFZ-SNVBAGLBSA-N
MW344.46 g/mol
LogP2.15
Rot. Bonds8

About [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate (PubChem CID 8506554) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate.

Molecular Properties

Compound Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
PubChem CID8506554
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
SMILESCC[C@@H](C)NC(=O)NC(=O)COC(=O)CSCc1cccs1
InChIInChI=1S/C14H20N2O4S2/c1-3-10(2)15-14(19)16-12(17)7-20-13(18)9-21-8-11-5-4-6-22-11/h4-6,10H,3,7-9H2,1-2H3,(H2,15,16,17,19)/t10-/m1/s1
InChIKeyYBLIWHFKNFUUFZ-SNVBAGLBSA-N
XLogP2.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate with MolForge

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Related Compounds

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506457
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676481
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506483
ethyl 4-[[2-[2-(thiophen-2-ylmethylsulfanyl)acetyl]oxyacetyl]amino]benzoate
CID 8506477
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
CID 8523115
(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 78972918
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806754
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 8909817
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834280
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925625
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 8014002

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
The IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate (CID 8506554) is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate.
What is the SMILES notation for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
The canonical SMILES for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate is CC[C@@H](C)NC(=O)NC(=O)COC(=O)CSCc1cccs1.
What is the InChIKey of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
The InChIKey is YBLIWHFKNFUUFZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c1-3-10(2)15-14(19)16-12(17)7-20-13(18)9-21-8-11-5-4-6-22-11/h4-6,10H,3,7-9H2,1-2H3,(H2,15,16,17,19)/t10-/m1/s1.
What are the key properties of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate?
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate has a molecular weight of 344.46 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate is sourced from PubChem (CID 8506554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).