N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide

C13H22N2O3S2 — CID 51108780

IUPACN-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
SMILESCCC(C)N(C)S(=O)(=O)c1ccc(CCNC(C)=O)s1
InChIInChI=1S/C13H22N2O3S2/c1-5-10(2)15(4)20(17,18)13-7-6-12(19-13)8-9-14-11(3)16/h6-7,10H,5,8-9H2,1-4H3,(H,14,16)
InChIKeySVTVPPRLHPLWJJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.85
Rot. Bonds7

About N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 51108780) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
PubChem CID51108780
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC NameN-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
SMILESCCC(C)N(C)S(=O)(=O)c1ccc(CCNC(C)=O)s1
InChIInChI=1S/C13H22N2O3S2/c1-5-10(2)15(4)20(17,18)13-7-6-12(19-13)8-9-14-11(3)16/h6-7,10H,5,8-9H2,1-4H3,(H,14,16)
InChIKeySVTVPPRLHPLWJJ-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide (CID 51108780) is N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide is CCC(C)N(C)S(=O)(=O)c1ccc(CCNC(C)=O)s1.
What is the InChIKey of N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is SVTVPPRLHPLWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-5-10(2)15(4)20(17,18)13-7-6-12(19-13)8-9-14-11(3)16/h6-7,10H,5,8-9H2,1-4H3,(H,14,16).
What are the key properties of N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 318.46 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[butan-2-yl(methyl)sulfamoyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 51108780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).