[2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate

C15H19N3O5S — CID 42964952

IUPAC[2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)OCC(=O)NC(N)=O
InChIInChI=1S/C15H19N3O5S/c1-24-8-7-11(14(21)23-9-12(19)18-15(16)22)17-13(20)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,17,20)(H3,16,18,19,22)
InChIKeyLGVQWFXVSBOHDQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.28
Rot. Bonds8

About [2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate

[2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate (PubChem CID 42964952) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
PubChem CID42964952
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
SMILESCSCCC(NC(=O)c1ccccc1)C(=O)OCC(=O)NC(N)=O
InChIInChI=1S/C15H19N3O5S/c1-24-8-7-11(14(21)23-9-12(19)18-15(16)22)17-13(20)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,17,20)(H3,16,18,19,22)
InChIKeyLGVQWFXVSBOHDQ-UHFFFAOYSA-N
XLogP0.28
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate 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

prop-2-enyl (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 135012368
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 6993422
propyl (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 67365199
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] (2R)-2-benzamido-4-methylsulfanylbutanoate
CID 2097452
[2-(2-cyanoanilino)-2-oxoethyl] (2R)-2-benzamido-4-methylsulfanylbutanoate
CID 7191240
[2-(3,4-dimethylanilino)-2-oxoethyl] (2R)-2-benzamido-4-methylsulfanylbutanoate
CID 7191225
[2-(4-bromophenyl)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 40882862
ethyl 4-[[2-[(2R)-2-benzamido-4-methylsulfanylbutanoyl]oxyacetyl]amino]benzoate
CID 51448629
[2-(2,5-dimethylanilino)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 7191259
[2-(2,4-difluoroanilino)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 2098198
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamido-4-methylsulfanylbutanoate
CID 7028412
[2-(4-bromo-3-methylanilino)-2-oxoethyl] (2R)-2-benzamido-4-methylsulfanylbutanoate
CID 51448622

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate (CID 42964952) is [2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate is CSCCC(NC(=O)c1ccccc1)C(=O)OCC(=O)NC(N)=O.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate?
The InChIKey is LGVQWFXVSBOHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-24-8-7-11(14(21)23-9-12(19)18-15(16)22)17-13(20)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,17,20)(H3,16,18,19,22).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate?
[2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate has a molecular weight of 353.40 g/mol, XLogP of 0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate is sourced from PubChem (CID 42964952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).