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

C16H20N2O2S — CID 61477715

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)s1
InChIInChI=1S/C16H20N2O2S/c1-10-3-8-15(21-10)11(2)18-16(20)14(17)9-12-4-6-13(19)7-5-12/h3-8,11,14,19H,9,17H2,1-2H3,(H,18,20)/t11?,14-/m0/s1
InChIKeySEUUDWMYUSDCNY-IAXJKZSUSA-N
MW304.42 g/mol
LogP2.51
Rot. Bonds5

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

(2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide (PubChem CID 61477715) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
PubChem CID61477715
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)s1
InChIInChI=1S/C16H20N2O2S/c1-10-3-8-15(21-10)11(2)18-16(20)14(17)9-12-4-6-13(19)7-5-12/h3-8,11,14,19H,9,17H2,1-2H3,(H,18,20)/t11?,14-/m0/s1
InChIKeySEUUDWMYUSDCNY-IAXJKZSUSA-N
XLogP2.51
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 104904813
(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 54954200
2-amino-4-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 62475602
ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 76905411
methyl (2S)-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoate
CID 104904819
(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
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 61148762
(2S)-2-amino-N-(1-hydroxy-4-methylpentan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 61245571

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide (CID 61477715) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide is Cc1ccc(C(C)NC(=O)[C@@H](N)Cc2ccc(O)cc2)s1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
The InChIKey is SEUUDWMYUSDCNY-IAXJKZSUSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-3-8-15(21-10)11(2)18-16(20)14(17)9-12-4-6-13(19)7-5-12/h3-8,11,14,19H,9,17H2,1-2H3,(H,18,20)/t11?,14-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide has a molecular weight of 304.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 61477715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).