(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide

C13H22N2O2S2 — CID 104907658

IUPAC(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCOCCN(Cc1cccs1)C(=O)[C@H](N)CCSC
InChIInChI=1S/C13H22N2O2S2/c1-17-7-6-15(10-11-4-3-8-19-11)13(16)12(14)5-9-18-2/h3-4,8,12H,5-7,9-10,14H2,1-2H3/t12-/m1/s1
InChIKeyVLEVBXUABOQEPH-GFCCVEGCSA-N
MW302.46 g/mol
LogP1.80
Rot. Bonds9

About (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide

(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 104907658) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID104907658
Molecular FormulaC13H22N2O2S2
Molecular Weight302.46 g/mol
Exact Mass302.11
IUPAC Name(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
SMILESCOCCN(Cc1cccs1)C(=O)[C@H](N)CCSC
InChIInChI=1S/C13H22N2O2S2/c1-17-7-6-15(10-11-4-3-8-19-11)13(16)12(14)5-9-18-2/h3-4,8,12H,5-7,9-10,14H2,1-2H3/t12-/m1/s1
InChIKeyVLEVBXUABOQEPH-GFCCVEGCSA-N
XLogP1.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
5-(Morpholinocarbonyl)-1-(2-thienylmethyl)-2-pyrrolidinone
CID 4639573
3-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)butanamide
CID 16194567
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)cyclopropanecarboxamide
CID 16195026
N-(2-methyl-2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 25162372
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-thiophen-2-yl}-methanone
CID 11587883
Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-thiophen-2-yl-methyl)-(2-methoxy-ethyl)-carbamoyl]-methyl}-amide
CID 649267
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 6603216
N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)-2-oxo-2-piperidin-1-ylacetamide
CID 20866332
1-isopropyl-5-oxo-N-(thien-2-ylmethyl)prolinamide
CID 4139790
2-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4787838

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide (CID 104907658) is (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide is COCCN(Cc1cccs1)C(=O)[C@H](N)CCSC.
What is the InChIKey of (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is VLEVBXUABOQEPH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-17-7-6-15(10-11-4-3-8-19-11)13(16)12(14)5-9-18-2/h3-4,8,12H,5-7,9-10,14H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide?
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 302.46 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 104907658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).