3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide

C14H16N2O2S — CID 81091317

IUPAC3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NCc2ccsc2)c1
InChIInChI=1S/C14H16N2O2S/c1-2-18-13-6-11(5-12(15)7-13)14(17)16-8-10-3-4-19-9-10/h3-7,9H,2,8,15H2,1H3,(H,16,17)
InChIKeyPZZZAHIHQSICHC-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.66
Rot. Bonds5

About 3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide

3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 81091317) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide
PubChem CID81091317
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NCc2ccsc2)c1
InChIInChI=1S/C14H16N2O2S/c1-2-18-13-6-11(5-12(15)7-13)14(17)16-8-10-3-4-19-9-10/h3-7,9H,2,8,15H2,1H3,(H,16,17)
InChIKeyPZZZAHIHQSICHC-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 81090055
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
CID 81091443
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide
CID 106033344
methyl 3-amino-5-ethoxybenzoate
CID 45089063
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide
CID 107843413
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide (CID 81091317) is 3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide is CCOc1cc(N)cc(C(=O)NCc2ccsc2)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is PZZZAHIHQSICHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-18-13-6-11(5-12(15)7-13)14(17)16-8-10-3-4-19-9-10/h3-7,9H,2,8,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide?
3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 276.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 81091317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).