(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide

C14H24N2OS — CID 104903571

IUPAC(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide
SMILESCc1ccc(CC(C)NC(=O)[C@H](N)CC(C)C)s1
InChIInChI=1S/C14H24N2OS/c1-9(2)7-13(15)14(17)16-10(3)8-12-6-5-11(4)18-12/h5-6,9-10,13H,7-8,15H2,1-4H3,(H,16,17)/t10?,13-/m1/s1
InChIKeyQKQDUEKLAJLEDA-JLOHTSLTSA-N
MW268.43 g/mol
LogP2.48
Rot. Bonds6

About (2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide

(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide (PubChem CID 104903571) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide
PubChem CID104903571
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide
SMILESCc1ccc(CC(C)NC(=O)[C@H](N)CC(C)C)s1
InChIInChI=1S/C14H24N2OS/c1-9(2)7-13(15)14(17)16-10(3)8-12-6-5-11(4)18-12/h5-6,9-10,13H,7-8,15H2,1-4H3,(H,16,17)/t10?,13-/m1/s1
InChIKeyQKQDUEKLAJLEDA-JLOHTSLTSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide
CID 78995785
(2S)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 54954200
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
(2S)-2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpentanamide
CID 61156026
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79813438
2-(N'-hydroxycarbamimidoyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 77045420
(2S)-2-amino-N-[1-(3,5-dimethylphenyl)propan-2-yl]-4-methylpentanamide
CID 119806715
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
CID 120592916
2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 114344434
(2S)-2-hydroxy-4-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 107840169

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide (CID 104903571) is (2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide is Cc1ccc(CC(C)NC(=O)[C@H](N)CC(C)C)s1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide?
The InChIKey is QKQDUEKLAJLEDA-JLOHTSLTSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-9(2)7-13(15)14(17)16-10(3)8-12-6-5-11(4)18-12/h5-6,9-10,13H,7-8,15H2,1-4H3,(H,16,17)/t10?,13-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide?
(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide has a molecular weight of 268.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide is sourced from PubChem (CID 104903571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).