(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide

C15H17ClN2O2S — CID 104904813

IUPAC(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
SMILESCC(NC(=O)[C@H](N)Cc1ccc(O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S/c1-9(13-6-7-14(16)21-13)18-15(20)12(17)8-10-2-4-11(19)5-3-10/h2-7,9,12,19H,8,17H2,1H3,(H,18,20)/t9?,12-/m1/s1
InChIKeyJARCWLKBZVBQFO-FFFFSGIJSA-N
MW324.83 g/mol
LogP2.85
Rot. Bonds5

About (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 104904813) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID104904813
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
SMILESCC(NC(=O)[C@H](N)Cc1ccc(O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S/c1-9(13-6-7-14(16)21-13)18-15(20)12(17)8-10-2-4-11(19)5-3-10/h2-7,9,12,19H,8,17H2,1H3,(H,18,20)/t9?,12-/m1/s1
InChIKeyJARCWLKBZVBQFO-FFFFSGIJSA-N
XLogP2.85
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 61477715
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
(2S)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanamide
CID 7023501
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]propanoic acid
CID 19950021
(2R)-2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 104905321
(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
CID 104871348
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 61148762
ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 76905411
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 61245571
methyl (2S)-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoate
CID 104904819
2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 104905410

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide (CID 104904813) is (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide is CC(NC(=O)[C@H](N)Cc1ccc(O)cc1)c1ccc(Cl)s1.
What is the InChIKey of (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is JARCWLKBZVBQFO-FFFFSGIJSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-9(13-6-7-14(16)21-13)18-15(20)12(17)8-10-2-4-11(19)5-3-10/h2-7,9,12,19H,8,17H2,1H3,(H,18,20)/t9?,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 324.83 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104904813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).