2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate

C15H15ClNO2S- — CID 53437074

IUPAC2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate
SMILESCC(NCCc1cccs1)(C(=O)[O-])c1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-15(14(18)19,12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11/h2-7,10,17H,8-9H2,1H3,(H,18,19)/p-1
InChIKeyFQGRUDPKXRQARQ-UHFFFAOYSA-M
MW308.81 g/mol
LogP2.20
Rot. Bonds6

About 2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate

2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate (PubChem CID 53437074) has the molecular formula C15H15ClNO2S- and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate
PubChem CID53437074
Molecular FormulaC15H15ClNO2S-
Molecular Weight308.81 g/mol
Exact Mass308.05
IUPAC Name2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate
SMILESCC(NCCc1cccs1)(C(=O)[O-])c1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-15(14(18)19,12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11/h2-7,10,17H,8-9H2,1H3,(H,18,19)/p-1
InChIKeyFQGRUDPKXRQARQ-UHFFFAOYSA-M
XLogP2.20
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 66925891
2-chloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773970
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457
methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 24938549
(2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride
CID 174603780
(2-thiophen-2-ylethylamino) 2-(2-chlorophenyl)propanoate
CID 21187056
2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 115690821
2-chloro-N-(2-thiophen-2-ylethylcarbamothioyl)benzamide
CID 3410297
ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 141274258
(2S)-2-(2,6-dichlorophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)propanamide
CID 8621528
[(2-chlorophenyl)-(2-thiophen-2-ylethylamino)methyl]sulfanylformic acid
CID 163919902
2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid
CID 66925893

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate?
The IUPAC name of 2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate (CID 53437074) is 2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate?
The canonical SMILES for 2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate is CC(NCCc1cccs1)(C(=O)[O-])c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate?
The InChIKey is FQGRUDPKXRQARQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16ClNO2S/c1-15(14(18)19,12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11/h2-7,10,17H,8-9H2,1H3,(H,18,19)/p-1.
What are the key properties of 2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate?
2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate has a molecular weight of 308.81 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate is sourced from PubChem (CID 53437074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).