5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide

C16H15N3O3S — CID 33147475

IUPAC5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)s1
InChIInChI=1S/C16H15N3O3S/c1-10-8-9-12(23-10)13(20)18-19-14(21)16(2,17-15(19)22)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,17,22)(H,18,20)/t16-/m1/s1
InChIKeyQOHFWHGPIREKLU-MRXNPFEDSA-N
MW329.38 g/mol
LogP2.17
Rot. Bonds3

About 5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide

5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide (PubChem CID 33147475) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide
PubChem CID33147475
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)s1
InChIInChI=1S/C16H15N3O3S/c1-10-8-9-12(23-10)13(20)18-19-14(21)16(2,17-15(19)22)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,17,22)(H,18,20)/t16-/m1/s1
InChIKeyQOHFWHGPIREKLU-MRXNPFEDSA-N
XLogP2.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.17
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

5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide
CID 41119642
2-bromo-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 8879406
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
1-benzyl-3-methyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 26250054
1-benzyl-3-methyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 47005073
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-4-(trifluoromethyl)benzamide
CID 84861598
4-bromo-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
CID 36779625
3,5-dimethoxy-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 8879493
4-chloro-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
CID 31121106
4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
CID 31121107
4-(ethylsulfanylmethyl)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55902374
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide (CID 33147475) is 5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide is Cc1ccc(C(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)s1.
What is the InChIKey of 5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide?
The InChIKey is QOHFWHGPIREKLU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-8-9-12(23-10)13(20)18-19-14(21)16(2,17-15(19)22)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,17,22)(H,18,20)/t16-/m1/s1.
What are the key properties of 5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide?
5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 33147475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).