N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide

C14H24N2O3S2 — CID 47068796

IUPACN-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
SMILESCCC(CC)N(C)S(=O)(=O)c1ccc(CCNC(C)=O)s1
InChIInChI=1S/C14H24N2O3S2/c1-5-12(6-2)16(4)21(18,19)14-8-7-13(20-14)9-10-15-11(3)17/h7-8,12H,5-6,9-10H2,1-4H3,(H,15,17)
InChIKeyVGEIXKILZHRTOG-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.24
Rot. Bonds8

About N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 47068796) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
PubChem CID47068796
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC NameN-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide
SMILESCCC(CC)N(C)S(=O)(=O)c1ccc(CCNC(C)=O)s1
InChIInChI=1S/C14H24N2O3S2/c1-5-12(6-2)16(4)21(18,19)14-8-7-13(20-14)9-10-15-11(3)17/h7-8,12H,5-6,9-10H2,1-4H3,(H,15,17)
InChIKeyVGEIXKILZHRTOG-UHFFFAOYSA-N
XLogP2.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide (CID 47068796) is N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide is CCC(CC)N(C)S(=O)(=O)c1ccc(CCNC(C)=O)s1.
What is the InChIKey of N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is VGEIXKILZHRTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-5-12(6-2)16(4)21(18,19)14-8-7-13(20-14)9-10-15-11(3)17/h7-8,12H,5-6,9-10H2,1-4H3,(H,15,17).
What are the key properties of N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 332.49 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[methyl(pentan-3-yl)sulfamoyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 47068796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).