N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide

C23H19FN4O4S — CID 55853337

IUPACN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C23H19FN4O4S/c1-13-8-18(27-21(30)15-5-3-6-16(24)10-15)33-20(13)22(31)26-17-7-2-4-14(9-17)12-28-19(29)11-25-23(28)32/h2-10H,11-12H2,1H3,(H,25,32)(H,26,31)(H,27,30)
InChIKeyPSRAOLCNKSJRMD-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.75
Rot. Bonds6

About N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide

N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide (PubChem CID 55853337) has the molecular formula C23H19FN4O4S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
PubChem CID55853337
Molecular FormulaC23H19FN4O4S
Molecular Weight466.49 g/mol
Exact Mass466.11
IUPAC NameN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1
InChIInChI=1S/C23H19FN4O4S/c1-13-8-18(27-21(30)15-5-3-6-16(24)10-15)33-20(13)22(31)26-17-7-2-4-14(9-17)12-28-19(29)11-25-23(28)32/h2-10H,11-12H2,1H3,(H,25,32)(H,26,31)(H,27,30)
InChIKeyPSRAOLCNKSJRMD-UHFFFAOYSA-N
XLogP3.75
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide (CID 55853337) is N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1.
What is the InChIKey of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
The InChIKey is PSRAOLCNKSJRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O4S/c1-13-8-18(27-21(30)15-5-3-6-16(24)10-15)33-20(13)22(31)26-17-7-2-4-14(9-17)12-28-19(29)11-25-23(28)32/h2-10H,11-12H2,1H3,(H,25,32)(H,26,31)(H,27,30).
What are the key properties of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide?
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 55853337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).