N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C12H20N2O4S2 — CID 115770771

IUPACN-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCC(CO)C(C)NC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H20N2O4S2/c1-9(8-15)10(2)13-11(16)7-14(3)20(17,18)12-5-4-6-19-12/h4-6,9-10,15H,7-8H2,1-3H3,(H,13,16)
InChIKeyWGVFLFNRLOLDKF-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.50
Rot. Bonds7

About N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 115770771) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID115770771
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCC(CO)C(C)NC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H20N2O4S2/c1-9(8-15)10(2)13-11(16)7-14(3)20(17,18)12-5-4-6-19-12/h4-6,9-10,15H,7-8H2,1-3H3,(H,13,16)
InChIKeyWGVFLFNRLOLDKF-UHFFFAOYSA-N
XLogP0.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 79255670
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 7917911
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 7917913
2-cyclopropyl-2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetic acid
CID 62696486
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
N-[1-(3,4-dimethylphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 24607037
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
CID 43573487
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855895
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 115770771) is N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CC(CO)C(C)NC(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is WGVFLFNRLOLDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-9(8-15)10(2)13-11(16)7-14(3)20(17,18)12-5-4-6-19-12/h4-6,9-10,15H,7-8H2,1-3H3,(H,13,16).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 320.44 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 115770771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).