N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide

C11H12N4O4S — CID 5130790

IUPACN-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide
SMILESCc1[nH]nc(SCC(=O)NCc2ccco2)c1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O4S/c1-7-10(15(17)18)11(14-13-7)20-6-9(16)12-5-8-3-2-4-19-8/h2-4H,5-6H2,1H3,(H,12,16)(H,13,14)
InChIKeyULOIMDZAPAVKMK-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.63
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide

N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide (PubChem CID 5130790) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide
PubChem CID5130790
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC NameN-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide
SMILESCc1[nH]nc(SCC(=O)NCc2ccco2)c1[N+](=O)[O-]
InChIInChI=1S/C11H12N4O4S/c1-7-10(15(17)18)11(14-13-7)20-6-9(16)12-5-8-3-2-4-19-8/h2-4H,5-6H2,1H3,(H,12,16)(H,13,14)
InChIKeyULOIMDZAPAVKMK-UHFFFAOYSA-N
XLogP1.63
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 4218299
N-(furan-2-ylmethyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 31182177
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
2-(2-amino-4-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 43302465
N-(furan-2-ylmethyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7557212
N-(furan-2-ylmethyl)-2-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)sulfanylacetamide
CID 43955111
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
N-(furan-2-ylmethyl)-2-(1H-pyrazolo[5,4-d]pyrimidin-4-ylsulfanyl)acetamide
CID 4963019
2-(3-cyano-7-methylquinolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 651442
2-(2-amino-5-methylphenyl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 79142309
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 17438789
N-(furan-2-ylmethyl)-2-(3,7,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 3682802

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide (CID 5130790) is N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide is Cc1[nH]nc(SCC(=O)NCc2ccco2)c1[N+](=O)[O-].
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide?
The InChIKey is ULOIMDZAPAVKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-7-10(15(17)18)11(14-13-7)20-6-9(16)12-5-8-3-2-4-19-8/h2-4H,5-6H2,1H3,(H,12,16)(H,13,14).
What are the key properties of N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide?
N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide has a molecular weight of 296.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 5130790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).