(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide

C17H22N2OS — CID 78995785

IUPAC(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide
SMILESCc1ccc(CC(C)NC(=O)[C@@H](N)Cc2ccccc2)s1
InChIInChI=1S/C17H22N2OS/c1-12(10-15-9-8-13(2)21-15)19-17(20)16(18)11-14-6-4-3-5-7-14/h3-9,12,16H,10-11,18H2,1-2H3,(H,19,20)/t12?,16-/m0/s1
InChIKeyCCDGXLYOGLAGBE-INSVYWFGSA-N
MW302.44 g/mol
LogP2.67
Rot. Bonds6

About (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide

(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide (PubChem CID 78995785) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide
PubChem CID78995785
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide
SMILESCc1ccc(CC(C)NC(=O)[C@@H](N)Cc2ccccc2)s1
InChIInChI=1S/C17H22N2OS/c1-12(10-15-9-8-13(2)21-15)19-17(20)16(18)11-14-6-4-3-5-7-14/h3-9,12,16H,10-11,18H2,1-2H3,(H,19,20)/t12?,16-/m0/s1
InChIKeyCCDGXLYOGLAGBE-INSVYWFGSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide
CID 104903571
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79012678
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
(2S)-2-amino-N-(1-phenylpropan-2-yl)butanamide
CID 79022695
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
CID 120592916
2-amino-N-(1-methylsulfinylpropan-2-yl)-3-phenylpropanamide
CID 113486466
(2R)-2-amino-N-pent-4-en-2-yl-3-phenylpropanamide
CID 103797386
(2R)-2-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-phenylpropanamide
CID 97324897
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899
(2R)-2-amino-N-(1-phenylpropan-2-yl)propanamide
CID 78923419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide (CID 78995785) is (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide is Cc1ccc(CC(C)NC(=O)[C@@H](N)Cc2ccccc2)s1.
What is the InChIKey of (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide?
The InChIKey is CCDGXLYOGLAGBE-INSVYWFGSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-12(10-15-9-8-13(2)21-15)19-17(20)16(18)11-14-6-4-3-5-7-14/h3-9,12,16H,10-11,18H2,1-2H3,(H,19,20)/t12?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide?
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide has a molecular weight of 302.44 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 78995785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).