4-formamido-N-(thiophen-2-ylmethyl)benzamide

C13H12N2O2S — CID 168653022

IUPAC4-formamido-N-(thiophen-2-ylmethyl)benzamide
SMILESO=CNc1ccc(C(=O)NCc2cccs2)cc1
InChIInChI=1S/C13H12N2O2S/c16-9-15-11-5-3-10(4-6-11)13(17)14-8-12-2-1-7-18-12/h1-7,9H,8H2,(H,14,17)(H,15,16)
InChIKeyFECIWRKNRIVZKS-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.25
Rot. Bonds5

About 4-formamido-N-(thiophen-2-ylmethyl)benzamide

4-formamido-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 168653022) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-formamido-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-formamido-N-(thiophen-2-ylmethyl)benzamide
PubChem CID168653022
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name4-formamido-N-(thiophen-2-ylmethyl)benzamide
SMILESO=CNc1ccc(C(=O)NCc2cccs2)cc1
InChIInChI=1S/C13H12N2O2S/c16-9-15-11-5-3-10(4-6-11)13(17)14-8-12-2-1-7-18-12/h1-7,9H,8H2,(H,14,17)(H,15,16)
InChIKeyFECIWRKNRIVZKS-UHFFFAOYSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[2-(dicyanomethylidene)hydrazinyl]-N-(thiophen-2-ylmethyl)benzamide
CID 169340076
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide
CID 61093192
4-pent-1-enyl-N-(thiophen-2-ylmethyl)benzamide
CID 73067043
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
4-propoxy-N-(thiophen-2-ylmethyl)benzamide
CID 4938538
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
N-[4-(thiophen-2-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954858
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3749251
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
N-[4-oxo-4-(thiophen-2-ylmethylamino)butyl]benzamide
CID 39769052

Frequently Asked Questions

What is the IUPAC name of 4-formamido-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-formamido-N-(thiophen-2-ylmethyl)benzamide (CID 168653022) is 4-formamido-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-formamido-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-formamido-N-(thiophen-2-ylmethyl)benzamide is O=CNc1ccc(C(=O)NCc2cccs2)cc1.
What is the InChIKey of 4-formamido-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is FECIWRKNRIVZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-9-15-11-5-3-10(4-6-11)13(17)14-8-12-2-1-7-18-12/h1-7,9H,8H2,(H,14,17)(H,15,16).
What are the key properties of 4-formamido-N-(thiophen-2-ylmethyl)benzamide?
4-formamido-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 260.32 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 168653022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).