N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

C18H21N3O4S — CID 53073513

IUPACN-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-6-8-15(9-7-13)26(24,25)17-10-11-18(23)21(20-17)12-16(22)19-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,19,22)
InChIKeyGZSVHKOKYGCPJE-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.44
Rot. Bonds5

About N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide

N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (PubChem CID 53073513) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
PubChem CID53073513
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NC3CCCC3)n2)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-6-8-15(9-7-13)26(24,25)17-10-11-18(23)21(20-17)12-16(22)19-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,19,22)
InChIKeyGZSVHKOKYGCPJE-UHFFFAOYSA-N
XLogP1.44
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 53073514
N-(2,4-dimethoxyphenyl)-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide
CID 53073490
N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224412
N-cyclohexyl-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
CID 51054544
2-(3-methyl-6-oxopyridazin-1-yl)-N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]acetamide
CID 95853180
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)sulfonylpyridazin-3-one
CID 53073512
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789
N-cycloheptyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 9267746
2-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-6-(4-methylphenyl)sulfonylpyridazin-3-one
CID 83277239
N-(3-methylphenyl)-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]acetamide
CID 53073682
2-[4-chloro-3,5-bis(4-methylphenyl)pyrazol-1-yl]-N-cyclohexylacetamide
CID 19588234

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide (CID 53073513) is N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is Cc1ccc(S(=O)(=O)c2ccc(=O)n(CC(=O)NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
The InChIKey is GZSVHKOKYGCPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-6-8-15(9-7-13)26(24,25)17-10-11-18(23)21(20-17)12-16(22)19-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,19,22).
What are the key properties of N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide?
N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide has a molecular weight of 375.45 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(4-methylphenyl)sulfonyl-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 53073513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).