N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one

C39H34N8O4S3 — CID 158856380

IUPACN-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cc(-c3cccnc3)cs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(NS(=O)(=O)c3cccs3)c2)N=C1N
InChIInChI=1S/C20H18N4O3S2.C19H16N4OS/c1-24-18(25)20(22-19(24)21,14-7-3-2-4-8-14)15-9-5-10-16(13-15)23-29(26,27)17-11-6-12-28-17;1-23-17(24)19(22-18(23)20,15-7-3-2-4-8-15)16-10-14(12-25-16)13-6-5-9-21-11-13/h2-13,23H,1H3,(H2,21,22);2-12H,1H3,(H2,20,22)
InChIKeyJACIVRCNAWOGEV-UHFFFAOYSA-N
MW774.95 g/mol
LogP5.42
Rot. Bonds8

About N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one

N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one (PubChem CID 158856380) has the molecular formula C39H34N8O4S3 and a molecular weight of 774.95 g/mol. Its IUPAC name is N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one.

Molecular Properties

Compound NameN-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one
PubChem CID158856380
Molecular FormulaC39H34N8O4S3
Molecular Weight774.95 g/mol
Exact Mass774.19
IUPAC NameN-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cc(-c3cccnc3)cs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(NS(=O)(=O)c3cccs3)c2)N=C1N
InChIInChI=1S/C20H18N4O3S2.C19H16N4OS/c1-24-18(25)20(22-19(24)21,14-7-3-2-4-8-14)15-9-5-10-16(13-15)23-29(26,27)17-11-6-12-28-17;1-23-17(24)19(22-18(23)20,15-7-3-2-4-8-15)16-10-14(12-25-16)13-6-5-9-21-11-13/h2-13,23H,1H3,(H2,21,22);2-12H,1H3,(H2,20,22)
InChIKeyJACIVRCNAWOGEV-UHFFFAOYSA-N
XLogP5.42
TPSA176.44 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500774.95
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one with MolForge

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Related Compounds

(6S)-1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-imino-3,6-dimethyl-6-(4-pyridin-3-ylthiophen-2-yl)-1,3-diazinan-4-one
CID 145459721
(6S)-1-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-imino-3,6-dimethyl-6-(4-pyridin-3-ylthiophen-2-yl)-1,3-diazinan-4-one;piperidine
CID 159601938
5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-3-[[3-(1,1-dioxothiazinan-2-yl)phenyl]methyl]-5-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
CID 159860857
(5S,6S)-2-amino-5-benzyl-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-benzyl-3,6-dimethyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;5-[5-[(4R)-2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;2-amino-5,5-diphenyl-3-[(3-phenylphenyl)methyl]imidazol-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-2-fluorobenzenesulfonamide
CID 160005464
N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide;3-pyrimidin-2-ylthiophene-2-carbonitrile
CID 160912804

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one?
The IUPAC name of N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one (CID 158856380) is N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one.
What is the SMILES notation for N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one?
The canonical SMILES for N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cc(-c3cccnc3)cs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(NS(=O)(=O)c3cccs3)c2)N=C1N.
What is the InChIKey of N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one?
The InChIKey is JACIVRCNAWOGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2.C19H16N4OS/c1-24-18(25)20(22-19(24)21,14-7-3-2-4-8-14)15-9-5-10-16(13-15)23-29(26,27)17-11-6-12-28-17;1-23-17(24)19(22-18(23)20,15-7-3-2-4-8-15)16-10-14(12-25-16)13-6-5-9-21-11-13/h2-13,23H,1H3,(H2,21,22);2-12H,1H3,(H2,20,22).
What are the key properties of N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one?
N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one has a molecular weight of 774.95 g/mol, XLogP of 5.42, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide;2-amino-3-methyl-5-phenyl-5-(4-pyridin-3-ylthiophen-2-yl)imidazol-4-one is sourced from PubChem (CID 158856380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).