N-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide

C14H15N3O6S — CID 86989267

IUPACN-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide
SMILESCc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C14H15N3O6S/c1-10-4-2-6-12(17(19)20)14(10)24(21,22)16-9-13(18)15-8-11-5-3-7-23-11/h2-7,16H,8-9H2,1H3,(H,15,18)
InChIKeyRTBXEFMPSWLSIJ-UHFFFAOYSA-N
MW353.36 g/mol
LogP1.09
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide

N-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide (PubChem CID 86989267) has the molecular formula C14H15N3O6S and a molecular weight of 353.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide
PubChem CID86989267
Molecular FormulaC14H15N3O6S
Molecular Weight353.36 g/mol
Exact Mass353.07
IUPAC NameN-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide
SMILESCc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(=O)NCc1ccco1
InChIInChI=1S/C14H15N3O6S/c1-10-4-2-6-12(17(19)20)14(10)24(21,22)16-9-13(18)15-8-11-5-3-7-23-11/h2-7,16H,8-9H2,1H3,(H,15,18)
InChIKeyRTBXEFMPSWLSIJ-UHFFFAOYSA-N
XLogP1.09
TPSA131.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 51.09
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-[(4-phenylphenyl)sulfonylamino]acetamide
CID 87024650
N-(furan-2-ylmethyl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetamide
CID 38254483
2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide
CID 75384925
N-(furan-2-ylmethyl)-2-(2-methyl-4-nitroanilino)acetamide
CID 78815640
N-[(4-fluorophenyl)methyl]-2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 4831855
2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 7063211
2-[(2-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 38254498
N-(furan-2-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 38254401
2-[2-[(2-methyl-6-nitrophenyl)sulfonylamino]ethoxy]acetic acid
CID 79469714
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-methyl-3-nitrobenzamide
CID 17147213
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,4-dimethyl-3-nitrobenzamide
CID 34736405
N-(2,2-dimethoxyethyl)-2-methyl-6-nitrobenzenesulfonamide
CID 62969091

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide (CID 86989267) is N-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide is Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide?
The InChIKey is RTBXEFMPSWLSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6S/c1-10-4-2-6-12(17(19)20)14(10)24(21,22)16-9-13(18)15-8-11-5-3-7-23-11/h2-7,16H,8-9H2,1H3,(H,15,18).
What are the key properties of N-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide?
N-(furan-2-ylmethyl)-2-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide has a molecular weight of 353.36 g/mol, XLogP of 1.09, 7 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-[(2-methyl-6-nitrophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 86989267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).