methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium

C16H23N4O4S+ — CID 9317969

IUPACmethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CN1C(=O)C(=O)N(CCc2cccs2)C1=O
InChIInChI=1S/C16H22N4O4S/c1-11(2)17-13(21)9-18(3)10-20-15(23)14(22)19(16(20)24)7-6-12-5-4-8-25-12/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,21)/p+1
InChIKeyKIBKFCBWXMZTEA-UHFFFAOYSA-O
MW367.45 g/mol
LogP-0.92
Rot. Bonds8

About methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium

methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium (PubChem CID 9317969) has the molecular formula C16H23N4O4S+ and a molecular weight of 367.45 g/mol. Its IUPAC name is methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium
PubChem CID9317969
Molecular FormulaC16H23N4O4S+
Molecular Weight367.45 g/mol
Exact Mass367.14
IUPAC Namemethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CN1C(=O)C(=O)N(CCc2cccs2)C1=O
InChIInChI=1S/C16H22N4O4S/c1-11(2)17-13(21)9-18(3)10-20-15(23)14(22)19(16(20)24)7-6-12-5-4-8-25-12/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,21)/p+1
InChIKeyKIBKFCBWXMZTEA-UHFFFAOYSA-O
XLogP-0.92
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium 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

methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium
CID 8913853
N-(1-methoxypropan-2-yl)-2-[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]acetamide
CID 154775356
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium
CID 8913554
methyl-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 2541465
1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
CID 9398358
3-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111348848
N-(thiophen-2-ylmethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626377
2-[4-[[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 55626387
1-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
CID 9232063
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-(thiophen-2-ylmethyl)azanium
CID 8965607
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4,5-trione
CID 9401579
2-[4-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78817647

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium?
The IUPAC name of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium (CID 9317969) is methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium is CC(C)NC(=O)C[NH+](C)CN1C(=O)C(=O)N(CCc2cccs2)C1=O.
What is the InChIKey of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium?
The InChIKey is KIBKFCBWXMZTEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22N4O4S/c1-11(2)17-13(21)9-18(3)10-20-15(23)14(22)19(16(20)24)7-6-12-5-4-8-25-12/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,17,21)/p+1.
What are the key properties of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium?
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium has a molecular weight of 367.45 g/mol, XLogP of -0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[2,4,5-trioxo-3-(2-thiophen-2-ylethyl)imidazolidin-1-yl]methyl]azanium is sourced from PubChem (CID 9317969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).