3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide

C15H18N2O2S — CID 81090055

IUPAC3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NCCc2cccs2)c1
InChIInChI=1S/C15H18N2O2S/c1-2-19-13-9-11(8-12(16)10-13)15(18)17-6-5-14-4-3-7-20-14/h3-4,7-10H,2,5-6,16H2,1H3,(H,17,18)
InChIKeyQHCILILCXXTCRC-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.70
Rot. Bonds6

About 3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide

3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 81090055) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID81090055
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NCCc2cccs2)c1
InChIInChI=1S/C15H18N2O2S/c1-2-19-13-9-11(8-12(16)10-13)15(18)17-6-5-14-4-3-7-20-14/h3-4,7-10H,2,5-6,16H2,1H3,(H,17,18)
InChIKeyQHCILILCXXTCRC-UHFFFAOYSA-N
XLogP2.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.70
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

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide
CID 106033344
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-bromo-5-ethoxy-4-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17473350
4-ethoxy-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770384
3-amino-5-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413376
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide
CID 81091317
4-(propylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 62165167
ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 50985156

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide (CID 81090055) is 3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide is CCOc1cc(N)cc(C(=O)NCCc2cccs2)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is QHCILILCXXTCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-19-13-9-11(8-12(16)10-13)15(18)17-6-5-14-4-3-7-20-14/h3-4,7-10H,2,5-6,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide?
3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 290.39 g/mol, XLogP of 2.70, 6 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-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 81090055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).