N-(4-nitrophenyl)-2-thiophen-2-ylacetamide

C12H10N2O3S — CID 2970898

IUPACN-(4-nitrophenyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O3S/c15-12(8-11-2-1-7-18-11)13-9-3-5-10(6-4-9)14(16)17/h1-7H,8H2,(H,13,15)
InChIKeyBOASBEGFXYCEPO-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.84
Rot. Bonds4

About N-(4-nitrophenyl)-2-thiophen-2-ylacetamide

N-(4-nitrophenyl)-2-thiophen-2-ylacetamide (PubChem CID 2970898) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(4-nitrophenyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-2-thiophen-2-ylacetamide
PubChem CID2970898
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC NameN-(4-nitrophenyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O3S/c15-12(8-11-2-1-7-18-11)13-9-3-5-10(6-4-9)14(16)17/h1-7H,8H2,(H,13,15)
InChIKeyBOASBEGFXYCEPO-UHFFFAOYSA-N
XLogP2.84
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-aminophenyl)thiophene-2-carboxamide
CID 736373
N-phenyl-2-(2-thienyl)acetamide
CID 779609
N-(4-fluorophenyl)-2-(2-thienyl)acetamide
CID 531783
N-[4-[acetyl(methyl)amino]phenyl]-2-thiophen-2-ylacetamide
CID 670788
N-[4-(cyclopropanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 977887
N-(3-Acetylamino-phenyl)-2-thiophen-2-yl-acetamide
CID 1147554
N-(3-nitrophenyl)-5-propylthiophene-3-carboxamide
CID 1245285
N-{4-[(2-thienylmethyl)amino]phenyl}propanamide
CID 6492102
N-(2-Fluoro-5-nitrophenyl)-2-thiophenecarboxamide
CID 573756
N-(2-fluoro-5-nitrophenyl)-5-methylthiophene-2-carboxamide
CID 831931
N-(2-methyl-5-nitrophenyl)-2-(2-thienyl)acetamide
CID 875727
N-(2-methyl-4-nitrophenyl)-3-(2-thienyl)acrylamide
CID 5736817

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-nitrophenyl)-2-thiophen-2-ylacetamide (CID 2970898) is N-(4-nitrophenyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-nitrophenyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-nitrophenyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-nitrophenyl)-2-thiophen-2-ylacetamide?
The InChIKey is BOASBEGFXYCEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-12(8-11-2-1-7-18-11)13-9-3-5-10(6-4-9)14(16)17/h1-7H,8H2,(H,13,15).
What are the key properties of N-(4-nitrophenyl)-2-thiophen-2-ylacetamide?
N-(4-nitrophenyl)-2-thiophen-2-ylacetamide has a molecular weight of 262.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2970898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).