2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide

C15H26N2O3S2 — CID 51307237

IUPAC2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCN(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H26N2O3S2/c1-14(2,3)11-15(4,5)16-12(18)10-17(6)22(19,20)13-8-7-9-21-13/h7-9H,10-11H2,1-6H3,(H,16,18)
InChIKeyQNLNBAVNYXUFTB-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.70
Rot. Bonds6

About 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide

2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide (PubChem CID 51307237) has the molecular formula C15H26N2O3S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide
PubChem CID51307237
Molecular FormulaC15H26N2O3S2
Molecular Weight346.52 g/mol
Exact Mass346.14
IUPAC Name2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide
SMILESCN(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c1cccs1
InChIInChI=1S/C15H26N2O3S2/c1-14(2,3)11-15(4,5)16-12(18)10-17(6)22(19,20)13-8-7-9-21-13/h7-9H,10-11H2,1-6H3,(H,16,18)
InChIKeyQNLNBAVNYXUFTB-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
N-[3-(hydroxymethyl)pentan-3-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 62522087
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-(4-tert-butylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 7685406
N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115612731
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The IUPAC name of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide (CID 51307237) is 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide is CN(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
The InChIKey is QNLNBAVNYXUFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S2/c1-14(2,3)11-15(4,5)16-12(18)10-17(6)22(19,20)13-8-7-9-21-13/h7-9H,10-11H2,1-6H3,(H,16,18).
What are the key properties of 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide?
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide has a molecular weight of 346.52 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2,4,4-trimethylpentan-2-yl)acetamide is sourced from PubChem (CID 51307237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).