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

C25H24N4O4S — CID 55722848

IUPACN-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCC1(c2cccc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)c2)NC(=O)NC1=O
InChIInChI=1S/C25H24N4O4S/c1-25(23(31)27-24(32)28-25)17-8-5-9-18(14-17)26-21(30)20-15-19(16-6-3-2-4-7-16)22(34-20)29-10-12-33-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,26,30)(H2,27,28,31,32)
InChIKeyDGBKETXXTITRBQ-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.56
Rot. Bonds5

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

N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 55722848) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID55722848
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCC1(c2cccc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)c2)NC(=O)NC1=O
InChIInChI=1S/C25H24N4O4S/c1-25(23(31)27-24(32)28-25)17-8-5-9-18(14-17)26-21(30)20-15-19(16-6-3-2-4-7-16)22(34-20)29-10-12-33-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,26,30)(H2,27,28,31,32)
InChIKeyDGBKETXXTITRBQ-UHFFFAOYSA-N
XLogP3.56
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 55722848) is N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is CC1(c2cccc(NC(=O)c3cc(-c4ccccc4)c(N4CCOCC4)s3)c2)NC(=O)NC1=O.
What is the InChIKey of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is DGBKETXXTITRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-25(23(31)27-24(32)28-25)17-8-5-9-18(14-17)26-21(30)20-15-19(16-6-3-2-4-7-16)22(34-20)29-10-12-33-13-11-29/h2-9,14-15H,10-13H2,1H3,(H,26,30)(H2,27,28,31,32).
What are the key properties of N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 55722848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).