N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide

C20H18N4O3S2 — CID 59388330

IUPACN-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(NS(=O)(=O)c3cccs3)c2)N=C1N
InChIInChI=1S/C20H18N4O3S2/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/h2-13,23H,1H3,(H2,21,22)
InChIKeyUBXFJUUNFABXGO-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.58
Rot. Bonds5

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

N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 59388330) has the molecular formula C20H18N4O3S2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide
PubChem CID59388330
Molecular FormulaC20H18N4O3S2
Molecular Weight426.52 g/mol
Exact Mass426.08
IUPAC NameN-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(NS(=O)(=O)c3cccs3)c2)N=C1N
InChIInChI=1S/C20H18N4O3S2/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/h2-13,23H,1H3,(H2,21,22)
InChIKeyUBXFJUUNFABXGO-UHFFFAOYSA-N
XLogP2.58
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-(3-bromophenyl)-5-(4-methoxyphenyl)-3-methylimidazol-4-one
CID 25063366
2-amino-5-[3-(2-hydroxy-5-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 16750245
3-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 25063751
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiophene-2-sulfonamide
CID 22205934
N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide
CID 59388804
N-[(1-phenylcyclopropyl)methyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492831
N-[3-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CID 60813110
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
N-(3-nitrophenyl)thiophene-2-sulfonamide
CID 768865
2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
N-(1-methylindol-5-yl)thiophene-2-sulfonamide
CID 110867814
N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide
CID 17378925

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?
The IUPAC name of N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide (CID 59388330) is N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide is 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?
The InChIKey is UBXFJUUNFABXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S2/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/h2-13,23H,1H3,(H2,21,22).
What are the key properties of N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide?
N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 426.52 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 59388330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).