N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C18H16N4O7S — CID 55402300

IUPACN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C18H16N4O7S/c23-17(12-21-11-14(22(25)26)6-7-18(21)24)20-13-3-1-5-16(9-13)30(27,28)19-10-15-4-2-8-29-15/h1-9,11,19H,10,12H2,(H,20,23)
InChIKeyWXJRDSVAGCNGFP-UHFFFAOYSA-N
MW432.41 g/mol
LogP1.47
Rot. Bonds8

About N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 55402300) has the molecular formula C18H16N4O7S and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID55402300
Molecular FormulaC18H16N4O7S
Molecular Weight432.41 g/mol
Exact Mass432.07
IUPAC NameN-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C18H16N4O7S/c23-17(12-21-11-14(22(25)26)6-7-18(21)24)20-13-3-1-5-16(9-13)30(27,28)19-10-15-4-2-8-29-15/h1-9,11,19H,10,12H2,(H,20,23)
InChIKeyWXJRDSVAGCNGFP-UHFFFAOYSA-N
XLogP1.47
TPSA153.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 8680183
2-(1,3-dioxoisoindol-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 24639699
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35559988
3-(2-chloro-4-nitroanilino)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 9332174
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
N-(3-methylsulfanylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 18084983
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24531594
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 24639734
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 108806522
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 24639742

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 55402300) is N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is WXJRDSVAGCNGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O7S/c23-17(12-21-11-14(22(25)26)6-7-18(21)24)20-13-3-1-5-16(9-13)30(27,28)19-10-15-4-2-8-29-15/h1-9,11,19H,10,12H2,(H,20,23).
What are the key properties of N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 432.41 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 55402300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).