N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C13H20N2O3S — CID 79252389

IUPACN-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCC(C)C(CO)NC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-9(2)10(8-16)14-12(17)7-15(3)13(18)11-5-4-6-19-11/h4-6,9-10,16H,7-8H2,1-3H3,(H,14,17)
InChIKeyYVEDPHFQLRLCIQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.95
Rot. Bonds6

About N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 79252389) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID79252389
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCC(C)C(CO)NC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-9(2)10(8-16)14-12(17)7-15(3)13(18)11-5-4-6-19-11/h4-6,9-10,16H,7-8H2,1-3H3,(H,14,17)
InChIKeyYVEDPHFQLRLCIQ-UHFFFAOYSA-N
XLogP0.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62695136
N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 103862367
N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 111460860
N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 79255670
(2R)-4-amino-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]-4-oxobutanoic acid
CID 107821254
(2S)-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]hexanoic acid
CID 107144518
N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658
N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 95772105
4-methoxy-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]butanoic acid
CID 62478757
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 64793762
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47438669

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 79252389) is N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CC(C)C(CO)NC(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is YVEDPHFQLRLCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9(2)10(8-16)14-12(17)7-15(3)13(18)11-5-4-6-19-11/h4-6,9-10,16H,7-8H2,1-3H3,(H,14,17).
What are the key properties of N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 79252389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).