N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C13H22N2O3S2 — CID 115612731

IUPACN-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCC(CC)CNC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H22N2O3S2/c1-4-11(5-2)9-14-12(16)10-15(3)20(17,18)13-7-6-8-19-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,14,16)
InChIKeyVZZIGTQDVOUSLH-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.92
Rot. Bonds8

About N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 115612731) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID115612731
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC NameN-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCC(CC)CNC(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H22N2O3S2/c1-4-11(5-2)9-14-12(16)10-15(3)20(17,18)13-7-6-8-19-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,14,16)
InChIKeyVZZIGTQDVOUSLH-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 43418420
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentylacetamide
CID 18108266
2-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]acetamide
CID 60668235
N-(2-hydroxy-2-methylpropyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 65109706
N-tert-butyl-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4190570
5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 62032128
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 114751616
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 39948405
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
N-[(2-fluorophenyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 9142227
N-[(1-hydroxycyclobutyl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115643486

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 115612731) is N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is CCC(CC)CNC(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is VZZIGTQDVOUSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-4-11(5-2)9-14-12(16)10-15(3)20(17,18)13-7-6-8-19-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,14,16).
What are the key properties of N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 318.46 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 115612731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).