N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide

C25H25N3O4S2 — CID 54572314

IUPACN-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide
SMILESCCC1CC(=O)N(Cc2ccc(NC(=O)c3cccs3)cc2)N=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H25N3O4S2/c1-3-18-15-23(29)28(27-24(18)19-8-12-21(13-9-19)34(2,31)32)16-17-6-10-20(11-7-17)26-25(30)22-5-4-14-33-22/h4-14,18H,3,15-16H2,1-2H3,(H,26,30)
InChIKeyZYEHTPJNYXFSJB-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.57
Rot. Bonds7

About N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide

N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide (PubChem CID 54572314) has the molecular formula C25H25N3O4S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide
PubChem CID54572314
Molecular FormulaC25H25N3O4S2
Molecular Weight495.63 g/mol
Exact Mass495.13
IUPAC NameN-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide
SMILESCCC1CC(=O)N(Cc2ccc(NC(=O)c3cccs3)cc2)N=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C25H25N3O4S2/c1-3-18-15-23(29)28(27-24(18)19-8-12-21(13-9-19)34(2,31)32)16-17-6-10-20(11-7-17)26-25(30)22-5-4-14-33-22/h4-14,18H,3,15-16H2,1-2H3,(H,26,30)
InChIKeyZYEHTPJNYXFSJB-UHFFFAOYSA-N
XLogP4.57
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide
CID 54073612
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
N-[4-[[3-(4-ethoxy-3-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 10299850
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
N-[4-[[4-ethyl-3-[3-methoxy-4-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1H-pyrrole-2-carboxamide
CID 54305880
N-[4-[[4-ethyl-3-[4-(fluoromethoxy)-3-methoxyphenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]butanamide
CID 18623546
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 18191008
N-[3-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]thiophene-2-carboxamide
CID 54350462
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
N-[4-[[(6R)-6-ethyl-2-formyl-5-(4-methylsulfonylphenyl)-2,6-dihydro-1,3,4-thiadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 174461975
N-[4-[[4-ethyl-3-(4-fluoro-2,3-dimethoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 142234379
ethyl carbonochloridate;ethyl N-[4-[[4-ethyl-3-[4-methoxy-3-(trifluoromethoxy)phenyl]-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]carbamate
CID 158088402

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide (CID 54572314) is N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide is CCC1CC(=O)N(Cc2ccc(NC(=O)c3cccs3)cc2)N=C1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is ZYEHTPJNYXFSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S2/c1-3-18-15-23(29)28(27-24(18)19-8-12-21(13-9-19)34(2,31)32)16-17-6-10-20(11-7-17)26-25(30)22-5-4-14-33-22/h4-14,18H,3,15-16H2,1-2H3,(H,26,30).
What are the key properties of N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide?
N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-ethyl-3-(4-methylsulfonylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 54572314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).