N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide

C16H15N3O3S — CID 9294715

IUPACN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccsc2)C1=O
InChIInChI=1S/C16H15N3O3S/c1-2-16(12-6-4-3-5-7-12)14(21)19(15(22)17-16)18-13(20)11-8-9-23-10-11/h3-10H,2H2,1H3,(H,17,22)(H,18,20)/t16-/m0/s1
InChIKeyCGCQPZLSCVEPFS-INIZCTEOSA-N
MW329.38 g/mol
LogP2.25
Rot. Bonds4

About N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide

N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide (PubChem CID 9294715) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide
PubChem CID9294715
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide
SMILESCC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccsc2)C1=O
InChIInChI=1S/C16H15N3O3S/c1-2-16(12-6-4-3-5-7-12)14(21)19(15(22)17-16)18-13(20)11-8-9-23-10-11/h3-10H,2H2,1H3,(H,17,22)(H,18,20)/t16-/m0/s1
InChIKeyCGCQPZLSCVEPFS-INIZCTEOSA-N
XLogP2.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-(trifluoromethyl)benzamide
CID 9293615
4-butoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 9293826
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-thiophen-2-ylacetamide
CID 9293561
5-ethyl-N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-methylthiophene-2-carboxamide
CID 9294395
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-phenylpropanamide
CID 9293628
N-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-methyl-4-nitrobenzamide
CID 7603366
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-indole-2-carboxamide
CID 9294420
N-[2-[(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 24549178
2-(azocan-1-yl)-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 25435064
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 41023589
N-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 24642473
4-ethoxy-N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-3-nitrobenzamide
CID 9294657

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide (CID 9294715) is N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide is CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccsc2)C1=O.
What is the InChIKey of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide?
The InChIKey is CGCQPZLSCVEPFS-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-2-16(12-6-4-3-5-7-12)14(21)19(15(22)17-16)18-13(20)11-8-9-23-10-11/h3-10H,2H2,1H3,(H,17,22)(H,18,20)/t16-/m0/s1.
What are the key properties of N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide?
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-3-carboxamide is sourced from PubChem (CID 9294715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).