3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide

C11H18N2O3S2 — CID 43133885

IUPAC3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H18N2O3S2/c1-8(2)7-10(14)13-6-5-9-3-4-11(17-9)18(12,15)16/h3-4,8H,5-7H2,1-2H3,(H,13,14)(H2,12,15,16)
InChIKeyFJVHAEZGSPGQAN-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.10
Rot. Bonds6

About 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide

3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide (PubChem CID 43133885) has the molecular formula C11H18N2O3S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
PubChem CID43133885
Molecular FormulaC11H18N2O3S2
Molecular Weight290.41 g/mol
Exact Mass290.08
IUPAC Name3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H18N2O3S2/c1-8(2)7-10(14)13-6-5-9-3-4-11(17-9)18(12,15)16/h3-4,8H,5-7H2,1-2H3,(H,13,14)(H2,12,15,16)
InChIKeyFJVHAEZGSPGQAN-UHFFFAOYSA-N
XLogP1.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide (CID 43133885) is 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide is CC(C)CC(=O)NCCc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide?
The InChIKey is FJVHAEZGSPGQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S2/c1-8(2)7-10(14)13-6-5-9-3-4-11(17-9)18(12,15)16/h3-4,8H,5-7H2,1-2H3,(H,13,14)(H2,12,15,16).
What are the key properties of 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide?
3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide has a molecular weight of 290.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(5-sulfamoylthiophen-2-yl)ethyl]butanamide is sourced from PubChem (CID 43133885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).