N-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide

C12H10N2O3S2 — CID 131855862

IUPACN-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])s2)cc1
InChIInChI=1S/C12H10N2O3S2/c1-8(15)13-9-2-4-10(5-3-9)18-12-7-6-11(19-12)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeySYBQDIRSVKUYIG-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.77
Rot. Bonds4

About N-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide

N-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide (PubChem CID 131855862) has the molecular formula C12H10N2O3S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide
PubChem CID131855862
Molecular FormulaC12H10N2O3S2
Molecular Weight294.36 g/mol
Exact Mass294.01
IUPAC NameN-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])s2)cc1
InChIInChI=1S/C12H10N2O3S2/c1-8(15)13-9-2-4-10(5-3-9)18-12-7-6-11(19-12)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeySYBQDIRSVKUYIG-UHFFFAOYSA-N
XLogP3.77
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-(5-formylthiophen-2-yl)sulfanylphenyl]acetamide
CID 113403944
[2-(4-acetamidoanilino)-2-oxoethyl] 5-nitrothiophene-2-carboxylate
CID 4843131
N-[4-(4-bromo-5-sulfamoylthiophen-2-yl)sulfanylphenyl]acetamide
CID 76852443
N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide
CID 18095387
N-[4-[[4-(4-nitrophenyl)sulfanylphenyl]methoxy]phenyl]acetamide
CID 1262392
N-[4-(4-nitrophenoxy)phenyl]acetamide
CID 139084350
N-[4-(8-nitroisoquinolin-5-yl)sulfanylphenyl]acetamide
CID 51160095
3-acetamido-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]benzamide
CID 6026824
N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
CID 117032539
(4-acetamidophenyl)azanium;nitrate;hydrate
CID 139083871
N-[4-[[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]amino]phenyl]acetamide
CID 22534268
1-(5-nitrothiophen-2-yl)-3-phenylurea
CID 121219125

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide (CID 131855862) is N-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])s2)cc1.
What is the InChIKey of N-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide?
The InChIKey is SYBQDIRSVKUYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S2/c1-8(15)13-9-2-4-10(5-3-9)18-12-7-6-11(19-12)14(16)17/h2-7H,1H3,(H,13,15).
What are the key properties of N-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide?
N-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide has a molecular weight of 294.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-nitrothiophen-2-yl)sulfanylphenyl]acetamide is sourced from PubChem (CID 131855862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).