N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide

C15H13N3O3S — CID 51983587

IUPACN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
SMILESC[C@@]1(c2cccc(NC(=O)c3cccs3)c2)NC(=O)NC1=O
InChIInChI=1S/C15H13N3O3S/c1-15(13(20)17-14(21)18-15)9-4-2-5-10(8-9)16-12(19)11-6-3-7-22-11/h2-8H,1H3,(H,16,19)(H2,17,18,20,21)/t15-/m0/s1
InChIKeyUFBODBVFMSUCSV-HNNXBMFYSA-N
MW315.35 g/mol
LogP2.06
Rot. Bonds3

About N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide

N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide (PubChem CID 51983587) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
PubChem CID51983587
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide
SMILESC[C@@]1(c2cccc(NC(=O)c3cccs3)c2)NC(=O)NC1=O
InChIInChI=1S/C15H13N3O3S/c1-15(13(20)17-14(21)18-15)9-4-2-5-10(8-9)16-12(19)11-6-3-7-22-11/h2-8H,1H3,(H,16,19)(H2,17,18,20,21)/t15-/m0/s1
InChIKeyUFBODBVFMSUCSV-HNNXBMFYSA-N
XLogP2.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide (CID 51983587) is N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide is C[C@@]1(c2cccc(NC(=O)c3cccs3)c2)NC(=O)NC1=O.
What is the InChIKey of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is UFBODBVFMSUCSV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-15(13(20)17-14(21)18-15)9-4-2-5-10(8-9)16-12(19)11-6-3-7-22-11/h2-8H,1H3,(H,16,19)(H2,17,18,20,21)/t15-/m0/s1.
What are the key properties of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide?
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 51983587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).