N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C24H20N4O3S — CID 108803588

IUPACN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCc1sc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)c(C(N)=O)c1C
InChIInChI=1S/C24H20N4O3S/c1-13-14(2)32-24(17(13)21(25)29)26-22(30)19-18(15-9-5-3-6-10-15)20(27-28-23(19)31)16-11-7-4-8-12-16/h3-12H,1-2H3,(H2,25,29)(H,26,30)(H,28,31)
InChIKeyBYVAHSSHWSEZNO-UHFFFAOYSA-N
MW444.52 g/mol
LogP4.13
Rot. Bonds5

About N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 108803588) has the molecular formula C24H20N4O3S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID108803588
Molecular FormulaC24H20N4O3S
Molecular Weight444.52 g/mol
Exact Mass444.13
IUPAC NameN-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCc1sc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)c(C(N)=O)c1C
InChIInChI=1S/C24H20N4O3S/c1-13-14(2)32-24(17(13)21(25)29)26-22(30)19-18(15-9-5-3-6-10-15)20(27-28-23(19)31)16-11-7-4-8-12-16/h3-12H,1-2H3,(H2,25,29)(H,26,30)(H,28,31)
InChIKeyBYVAHSSHWSEZNO-UHFFFAOYSA-N
XLogP4.13
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 16957838
6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
CID 108790884
N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790914
2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 108803564
N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108739115
2-[(2-bromobenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 1021509
N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790883
methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate
CID 108803578
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56501689
4,5-dimethyl-2-[[2-(4-phenylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1015549

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 108803588) is N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is Cc1sc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)c(C(N)=O)c1C.
What is the InChIKey of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is BYVAHSSHWSEZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S/c1-13-14(2)32-24(17(13)21(25)29)26-22(30)19-18(15-9-5-3-6-10-15)20(27-28-23(19)31)16-11-7-4-8-12-16/h3-12H,1-2H3,(H2,25,29)(H,26,30)(H,28,31).
What are the key properties of N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 4.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 108803588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).