N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

C19H19N3O4S — CID 8627160

IUPACN-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccccc2)c2cccs2)C1=O
InChIInChI=1S/C19H19N3O4S/c1-2-10-21-17(24)18(25)22(19(21)26)12-15(23)20-16(14-9-6-11-27-14)13-7-4-3-5-8-13/h3-9,11,16H,2,10,12H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyCYDSNIKTVUSVAK-MRXNPFEDSA-N
MW385.45 g/mol
LogP2.15
Rot. Bonds7

About N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide

N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (PubChem CID 8627160) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
PubChem CID8627160
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
SMILESCCCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccccc2)c2cccs2)C1=O
InChIInChI=1S/C19H19N3O4S/c1-2-10-21-17(24)18(25)22(19(21)26)12-15(23)20-16(14-9-6-11-27-14)13-7-4-3-5-8-13/h3-9,11,16H,2,10,12H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyCYDSNIKTVUSVAK-MRXNPFEDSA-N
XLogP2.15
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 9342029
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8581331
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 24682430
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41138688
N-(thiophen-2-ylmethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626377
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]propanamide
CID 8854781
methyl-[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
CID 8790275
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41176869
2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41392516
ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015

Frequently Asked Questions

What is the IUPAC name of N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide (CID 8627160) is N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is CCCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccccc2)c2cccs2)C1=O.
What is the InChIKey of N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
The InChIKey is CYDSNIKTVUSVAK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-2-10-21-17(24)18(25)22(19(21)26)12-15(23)20-16(14-9-6-11-27-14)13-7-4-3-5-8-13/h3-9,11,16H,2,10,12H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide?
N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-phenyl(thiophen-2-yl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 8627160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).