N-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide

C17H22N4O4S2 — CID 20926900

IUPACN-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
SMILESCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H22N4O4S2/c1-21(11-16(23)18-12-5-3-2-4-6-12)27(24,25)17-10-8-14(26-17)13-7-9-15(22)20-19-13/h7-10,12H,2-6,11H2,1H3,(H,18,23)(H,20,22)
InChIKeyVPZHYQGIPRSGCL-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.57
Rot. Bonds6

About N-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide

N-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide (PubChem CID 20926900) has the molecular formula C17H22N4O4S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
PubChem CID20926900
Molecular FormulaC17H22N4O4S2
Molecular Weight410.52 g/mol
Exact Mass410.11
IUPAC NameN-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
SMILESCN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H22N4O4S2/c1-21(11-16(23)18-12-5-3-2-4-6-12)27(24,25)17-10-8-14(26-17)13-7-9-15(22)20-19-13/h7-10,12H,2-6,11H2,1H3,(H,18,23)(H,20,22)
InChIKeyVPZHYQGIPRSGCL-UHFFFAOYSA-N
XLogP1.57
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide (CID 20926900) is N-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide is CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The InChIKey is VPZHYQGIPRSGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S2/c1-21(11-16(23)18-12-5-3-2-4-6-12)27(24,25)17-10-8-14(26-17)13-7-9-15(22)20-19-13/h7-10,12H,2-6,11H2,1H3,(H,18,23)(H,20,22).
What are the key properties of N-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
N-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide has a molecular weight of 410.52 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide is sourced from PubChem (CID 20926900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).