2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide

C24H22N4O4S — CID 42921307

IUPAC2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESCc1ccc(C2(c3ccccc3)NC(=O)N(CC(=O)Nc3sccc3C(N)=O)C2=O)cc1C
InChIInChI=1S/C24H22N4O4S/c1-14-8-9-17(12-15(14)2)24(16-6-4-3-5-7-16)22(31)28(23(32)27-24)13-19(29)26-21-18(20(25)30)10-11-33-21/h3-12H,13H2,1-2H3,(H2,25,30)(H,26,29)(H,27,32)
InChIKeyDPDMNWMZEWHNTE-UHFFFAOYSA-N
MW462.53 g/mol
LogP2.90
Rot. Bonds6

About 2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 42921307) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
PubChem CID42921307
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
SMILESCc1ccc(C2(c3ccccc3)NC(=O)N(CC(=O)Nc3sccc3C(N)=O)C2=O)cc1C
InChIInChI=1S/C24H22N4O4S/c1-14-8-9-17(12-15(14)2)24(16-6-4-3-5-7-16)22(31)28(23(32)27-24)13-19(29)26-21-18(20(25)30)10-11-33-21/h3-12H,13H2,1-2H3,(H2,25,30)(H,26,29)(H,27,32)
InChIKeyDPDMNWMZEWHNTE-UHFFFAOYSA-N
XLogP2.90
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 51563729
N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 32926545
3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 33097653
2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8673076
2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 8673028
butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8673066
(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41061049
(5R)-5-(3,4-dimethylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 8673010
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 84601269
2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2416076
(5R)-5-(3,4-dimethylphenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8677282
(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673055

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide (CID 42921307) is 2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide is Cc1ccc(C2(c3ccccc3)NC(=O)N(CC(=O)Nc3sccc3C(N)=O)C2=O)cc1C.
What is the InChIKey of 2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is DPDMNWMZEWHNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-14-8-9-17(12-15(14)2)24(16-6-4-3-5-7-16)22(31)28(23(32)27-24)13-19(29)26-21-18(20(25)30)10-11-33-21/h3-12H,13H2,1-2H3,(H2,25,30)(H,26,29)(H,27,32).
What are the key properties of 2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 462.53 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 42921307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).