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

C21H16ClN3O3S — CID 41119642

IUPAC5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1=O
InChIInChI=1S/C21H16ClN3O3S/c1-21(14-5-3-2-4-6-14)19(27)25(20(28)23-21)24-18(26)17-12-11-16(29-17)13-7-9-15(22)10-8-13/h2-12H,1H3,(H,23,28)(H,24,26)/t21-/m0/s1
InChIKeyIUKPNDVKOGJBMF-NRFANRHFSA-N
MW425.90 g/mol
LogP4.18
Rot. Bonds4

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

5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide (PubChem CID 41119642) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide
PubChem CID41119642
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC Name5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1=O
InChIInChI=1S/C21H16ClN3O3S/c1-21(14-5-3-2-4-6-14)19(27)25(20(28)23-21)24-18(26)17-12-11-16(29-17)13-7-9-15(22)10-8-13/h2-12H,1H3,(H,23,28)(H,24,26)/t21-/m0/s1
InChIKeyIUKPNDVKOGJBMF-NRFANRHFSA-N
XLogP4.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.18
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-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide
CID 33147475
4-chloro-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
CID 31121107
4-chloro-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
CID 31121106
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-[(1,3-dioxoisoindol-2-yl)methyl]-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)benzamide
CID 55542313
1-(4-chlorophenyl)sulfonyl-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
CID 41156656
3,5-dimethoxy-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]benzamide
CID 8879493
4-bromo-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-1H-pyrrole-2-carboxamide
CID 36779625

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide (CID 41119642) is 5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide is C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)C1=O.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide?
The InChIKey is IUKPNDVKOGJBMF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-21(14-5-3-2-4-6-14)19(27)25(20(28)23-21)24-18(26)17-12-11-16(29-17)13-7-9-15(22)10-8-13/h2-12H,1H3,(H,23,28)(H,24,26)/t21-/m0/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide?
5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide has a molecular weight of 425.90 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 41119642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).