4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide

C18H15N3O3S — CID 108747821

IUPAC4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C18H15N3O3S/c22-15(16-5-2-10-25-16)7-9-17(23)19-13-4-1-3-12(11-13)14-6-8-18(24)21-20-14/h1-6,8,10-11H,7,9H2,(H,19,23)(H,21,24)
InChIKeyWWWBBGQKSUTSTL-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.10
Rot. Bonds6

About 4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide

4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide (PubChem CID 108747821) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide
PubChem CID108747821
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1cccc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C18H15N3O3S/c22-15(16-5-2-10-25-16)7-9-17(23)19-13-4-1-3-12(11-13)14-6-8-18(24)21-20-14/h1-6,8,10-11H,7,9H2,(H,19,23)(H,21,24)
InChIKeyWWWBBGQKSUTSTL-UHFFFAOYSA-N
XLogP3.10
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108748350
2-(4-methylphenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 47086774
2-(4-bromophenyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 49035248
N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796402
2-cyclopentyl-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 51100304
4-(4-methoxyphenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]butanamide
CID 49035162
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579
methyl N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]carbamate
CID 108747797
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108811605
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-phenylthiophene-2-carboxamide
CID 49034810
N-[6-oxo-6-[3-(6-oxo-1H-pyridazin-3-yl)anilino]hexyl]benzamide
CID 108747772
N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 49035377

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of 4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide (CID 108747821) is 4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for 4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for 4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)Nc1cccc(-c2ccc(=O)[nH]n2)c1.
What is the InChIKey of 4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is WWWBBGQKSUTSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c22-15(16-5-2-10-25-16)7-9-17(23)19-13-4-1-3-12(11-13)14-6-8-18(24)21-20-14/h1-6,8,10-11H,7,9H2,(H,19,23)(H,21,24).
What are the key properties of 4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide?
4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 353.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108747821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).