N'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide

C11H16N2O3S — CID 51470307

IUPACN'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCC[C@@H](CO)NC(=O)C(=O)NCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-2-8(7-14)13-11(16)10(15)12-6-9-4-3-5-17-9/h3-5,8,14H,2,6-7H2,1H3,(H,12,15)(H,13,16)/t8-/m0/s1
InChIKeyNRNISVJFXXXZQJ-QMMMGPOBSA-N
MW256.33 g/mol
LogP0.25
Rot. Bonds5

About N'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide

N'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 51470307) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID51470307
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCC[C@@H](CO)NC(=O)C(=O)NCc1cccs1
InChIInChI=1S/C11H16N2O3S/c1-2-8(7-14)13-11(16)10(15)12-6-9-4-3-5-17-9/h3-5,8,14H,2,6-7H2,1H3,(H,12,15)(H,13,16)/t8-/m0/s1
InChIKeyNRNISVJFXXXZQJ-QMMMGPOBSA-N
XLogP0.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(3-Methyl-thiophen-2-ylmethyl)-amino]-butan-1-ol
CID 3156001
1-({2-[(2-Thienylmethyl)amino]ethyl}amino)-2-propanol dihydrochloride
CID 16189374
N-[(thiophen-2-ylmethyl)carbamoyl]-L-alanine
CID 5389745
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
N-[(2S,3R)-3-hydroxy-1-(octylamino)-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 90124905
4-(2-Hydroxyethyl)-3-(thiophen-2-yl)-3,4,5,6-tetrahydropyrazin-2-ol
CID 3070021
N-[(thiophen-2-ylmethyl)carbamoyl]-L-methionine
CID 664979
N-[2-(4-morpholinyl)-2-(2-thienyl)ethyl]propanamide
CID 2998106
N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)propanamide
CID 3245518
N-[1-(hydroxymethyl)propyl]-N-(2-thienylmethyl)-2-[(2-thienylsulfonyl)amino]acetamide
CID 46991742
N-[1-(hydroxymethyl)propyl]-2-(methylthio)-N-(2-thienylmethyl)acetamide
CID 46997059

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide (CID 51470307) is N'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide is CC[C@@H](CO)NC(=O)C(=O)NCc1cccs1.
What is the InChIKey of N'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is NRNISVJFXXXZQJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-8(7-14)13-11(16)10(15)12-6-9-4-3-5-17-9/h3-5,8,14H,2,6-7H2,1H3,(H,12,15)(H,13,16)/t8-/m0/s1.
What are the key properties of N'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 256.33 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-1-hydroxybutan-2-yl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 51470307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).