(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide

C17H22N2OS — CID 78984626

IUPAC(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
SMILESCCCC(NC(=O)[C@H](N)Cc1ccccc1)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-2-7-15(16-10-6-11-21-16)19-17(20)14(18)12-13-8-4-3-5-9-13/h3-6,8-11,14-15H,2,7,12,18H2,1H3,(H,19,20)/t14-,15?/m1/s1
InChIKeyGYDDBCOBOCTFMN-GICMACPYSA-N
MW302.44 g/mol
LogP3.28
Rot. Bonds7

About (2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide

(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide (PubChem CID 78984626) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is (2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
PubChem CID78984626
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide
SMILESCCCC(NC(=O)[C@H](N)Cc1ccccc1)c1cccs1
InChIInChI=1S/C17H22N2OS/c1-2-7-15(16-10-6-11-21-16)19-17(20)14(18)12-13-8-4-3-5-9-13/h3-6,8-11,14-15H,2,7,12,18H2,1H3,(H,19,20)/t14-,15?/m1/s1
InChIKeyGYDDBCOBOCTFMN-GICMACPYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-methoxy-N-(1-thiophen-2-ylbutyl)pentanamide
CID 81087987
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
2-(aminomethyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 65229248
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid
CID 103869775
(2S)-2-amino-N-[phenyl(thiophen-2-yl)methyl]pentanamide
CID 107568606
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
2-amino-N-(1,2-diphenylethyl)pentanamide;hydrochloride
CID 119271471
2-methyl-3-(methylamino)-N-(1-thiophen-2-ylbutyl)propanamide
CID 79203080
4-amino-N-(2-phenyl-1-thiophen-2-ylethyl)pentanamide
CID 120563010
5-amino-2-methyl-N-(1-thiophen-2-ylbutyl)pentanamide
CID 104684884
(2S)-2-amino-N-hex-1-yn-3-yl-3-phenylpropanamide
CID 106230687

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide?
The IUPAC name of (2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide (CID 78984626) is (2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide is CCCC(NC(=O)[C@H](N)Cc1ccccc1)c1cccs1.
What is the InChIKey of (2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide?
The InChIKey is GYDDBCOBOCTFMN-GICMACPYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-7-15(16-10-6-11-21-16)19-17(20)14(18)12-13-8-4-3-5-9-13/h3-6,8-11,14-15H,2,7,12,18H2,1H3,(H,19,20)/t14-,15?/m1/s1.
What are the key properties of (2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide?
(2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide has a molecular weight of 302.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-phenyl-N-(1-thiophen-2-ylbutyl)propanamide is sourced from PubChem (CID 78984626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).