(2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate

C15H16ClNO2S — CID 23187495

IUPAC(2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate
SMILESCCN(c1cccs1)C(C)C(=O)Oc1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-3-17(14-9-6-10-20-14)11(2)15(18)19-13-8-5-4-7-12(13)16/h4-11H,3H2,1-2H3
InChIKeyNQTBXKYNDDDNAM-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.22
Rot. Bonds5

About (2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate

(2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate (PubChem CID 23187495) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is (2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate.

Molecular Properties

Compound Name(2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate
PubChem CID23187495
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name(2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate
SMILESCCN(c1cccs1)C(C)C(=O)Oc1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-3-17(14-9-6-10-20-14)11(2)15(18)19-13-8-5-4-7-12(13)16/h4-11H,3H2,1-2H3
InChIKeyNQTBXKYNDDDNAM-UHFFFAOYSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl (2S)-2-(2-chlorophenyl)-2-[ethyl(thiophen-2-yl)amino]acetate
CID 67094459
(2-chlorophenyl) (2R)-2-bromopropanoate
CID 91194587
(2-chlorophenyl) 3-aminopropanoate
CID 82112337
(2-chlorophenyl) (2S)-2-(methylamino)propanoate
CID 175000753
[2-[ethyl(thiophen-2-yl)carbamoyl]phenyl] propanoate
CID 175493762
4-O-(2-chlorophenyl) 1-O-ethyl benzene-1,4-dicarboxylate
CID 22994694
(2-chlorophenyl) 2-aminoacetate;hydrochloride
CID 174643390
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
(2-chlorophenyl) N-(2-aminopropyl)carbamate
CID 83823727
(2-chlorophenyl) 2-methoxyacetate
CID 542147
prop-2-ynyl 2-(N-ethylanilino)propanoate
CID 23345915
1-O-(2-chlorophenyl) 4-O-heptan-2-yl butanedioate
CID 91713171

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate?
The IUPAC name of (2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate (CID 23187495) is (2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate.
What is the SMILES notation for (2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate?
The canonical SMILES for (2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate is CCN(c1cccs1)C(C)C(=O)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate?
The InChIKey is NQTBXKYNDDDNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-3-17(14-9-6-10-20-14)11(2)15(18)19-13-8-5-4-7-12(13)16/h4-11H,3H2,1-2H3.
What are the key properties of (2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate?
(2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate has a molecular weight of 309.82 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 2-[ethyl(thiophen-2-yl)amino]propanoate is sourced from PubChem (CID 23187495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).