3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide

C15H17ClN2O2S — CID 106033344

IUPAC3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide
SMILESCCOc1cc(N)cc(C(=O)NCCc2ccc(Cl)s2)c1
InChIInChI=1S/C15H17ClN2O2S/c1-2-20-12-8-10(7-11(17)9-12)15(19)18-6-5-13-3-4-14(16)21-13/h3-4,7-9H,2,5-6,17H2,1H3,(H,18,19)
InChIKeyJJPOUZGCIXRVKY-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.35
Rot. Bonds6

About 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide

3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide (PubChem CID 106033344) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide
PubChem CID106033344
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide
SMILESCCOc1cc(N)cc(C(=O)NCCc2ccc(Cl)s2)c1
InChIInChI=1S/C15H17ClN2O2S/c1-2-20-12-8-10(7-11(17)9-12)15(19)18-6-5-13-3-4-14(16)21-13/h3-4,7-9H,2,5-6,17H2,1H3,(H,18,19)
InChIKeyJJPOUZGCIXRVKY-UHFFFAOYSA-N
XLogP3.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.35
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-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 81090055
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 106050315
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
CID 81091443
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-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-fluorobenzamide
CID 103809483
4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 106033230
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide
CID 81091317

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide?
The IUPAC name of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide (CID 106033344) is 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide?
The canonical SMILES for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide is CCOc1cc(N)cc(C(=O)NCCc2ccc(Cl)s2)c1.
What is the InChIKey of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide?
The InChIKey is JJPOUZGCIXRVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-2-20-12-8-10(7-11(17)9-12)15(19)18-6-5-13-3-4-14(16)21-13/h3-4,7-9H,2,5-6,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide?
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide has a molecular weight of 324.83 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide is sourced from PubChem (CID 106033344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).