[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate

C16H20N2O4S — CID 7773068

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
SMILESCc1ccc(CSCC(=O)OCC(=O)NC(=O)NC2CC2)cc1
InChIInChI=1S/C16H20N2O4S/c1-11-2-4-12(5-3-11)9-23-10-15(20)22-8-14(19)18-16(21)17-13-6-7-13/h2-5,13H,6-10H2,1H3,(H2,17,18,19,21)
InChIKeyQBCOQUMVQDDKDO-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.76
Rot. Bonds7

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate (PubChem CID 7773068) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
PubChem CID7773068
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
SMILESCc1ccc(CSCC(=O)OCC(=O)NC(=O)NC2CC2)cc1
InChIInChI=1S/C16H20N2O4S/c1-11-2-4-12(5-3-11)9-23-10-15(20)22-8-14(19)18-16(21)17-13-6-7-13/h2-5,13H,6-10H2,1H3,(H2,17,18,19,21)
InChIKeyQBCOQUMVQDDKDO-UHFFFAOYSA-N
XLogP1.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)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

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773238
[2-(methylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773184
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773294
N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 47005023
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011250
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840574
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773410
[2-(4-bromoanilino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773353
[2-(4-methylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)methylsulfanyl]acetate
CID 55310798
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567304
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815631
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773480

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate (CID 7773068) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate is Cc1ccc(CSCC(=O)OCC(=O)NC(=O)NC2CC2)cc1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate?
The InChIKey is QBCOQUMVQDDKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-2-4-12(5-3-11)9-23-10-15(20)22-8-14(19)18-16(21)17-13-6-7-13/h2-5,13H,6-10H2,1H3,(H2,17,18,19,21).
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate has a molecular weight of 336.41 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate is sourced from PubChem (CID 7773068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).