N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide

C12H20N2O4S2 — CID 43573487

IUPACN-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H20N2O4S2/c1-10(2)14(6-7-15)11(16)9-13(3)20(17,18)12-5-4-8-19-12/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyZNDMYODXAQXZNS-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.60
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide

N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide (PubChem CID 43573487) has the molecular formula C12H20N2O4S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
PubChem CID43573487
Molecular FormulaC12H20N2O4S2
Molecular Weight320.44 g/mol
Exact Mass320.09
IUPAC NameN-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C12H20N2O4S2/c1-10(2)14(6-7-15)11(16)9-13(3)20(17,18)12-5-4-8-19-12/h4-5,8,10,15H,6-7,9H2,1-3H3
InChIKeyZNDMYODXAQXZNS-UHFFFAOYSA-N
XLogP0.60
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide (CID 43573487) is N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide is CC(C)N(CCO)C(=O)CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide?
The InChIKey is ZNDMYODXAQXZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S2/c1-10(2)14(6-7-15)11(16)9-13(3)20(17,18)12-5-4-8-19-12/h4-5,8,10,15H,6-7,9H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide?
N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide has a molecular weight of 320.44 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43573487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).