3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride

C15H19ClN2O2S — CID 119798622

IUPAC3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
SMILESCl.NCC(C(=O)NCC(O)c1ccsc1)c1ccccc1
InChIInChI=1S/C15H18N2O2S.ClH/c16-8-13(11-4-2-1-3-5-11)15(19)17-9-14(18)12-6-7-20-10-12;/h1-7,10,13-14,18H,8-9,16H2,(H,17,19);1H
InChIKeyGQVHXTUGOSQCPK-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.06
Rot. Bonds6

About 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride

3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride (PubChem CID 119798622) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
PubChem CID119798622
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
SMILESCl.NCC(C(=O)NCC(O)c1ccsc1)c1ccccc1
InChIInChI=1S/C15H18N2O2S.ClH/c16-8-13(11-4-2-1-3-5-11)15(19)17-9-14(18)12-6-7-20-10-12;/h1-7,10,13-14,18H,8-9,16H2,(H,17,19);1H
InChIKeyGQVHXTUGOSQCPK-UHFFFAOYSA-N
XLogP2.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-methylpropanamide
CID 106435391
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
CID 120593036
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
3-amino-N-(2-hydroxy-3-methylbutyl)-2-phenylpropanamide
CID 113492233
(E)-4-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 106434672
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)propanamide
CID 106435392
(2S)-2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylpentanamide
CID 113267099
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234
N-(2-hydroxy-2-thiophen-3-ylethyl)-1,3-benzothiazole-2-carboxamide
CID 90496484
2-[2-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]phenyl]acetic acid
CID 106435361
1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide
CID 111441757

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride (CID 119798622) is 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride is Cl.NCC(C(=O)NCC(O)c1ccsc1)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride?
The InChIKey is GQVHXTUGOSQCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S.ClH/c16-8-13(11-4-2-1-3-5-11)15(19)17-9-14(18)12-6-7-20-10-12;/h1-7,10,13-14,18H,8-9,16H2,(H,17,19);1H.
What are the key properties of 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride?
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119798622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).