N-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide

C13H20N2O3S2 — CID 47184062

IUPACN-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide
SMILESCCCCN(C(=O)Cc1ccc(S(N)(=O)=O)s1)C1CC1
InChIInChI=1S/C13H20N2O3S2/c1-2-3-8-15(10-4-5-10)12(16)9-11-6-7-13(19-11)20(14,17)18/h6-7,10H,2-5,8-9H2,1H3,(H2,14,17,18)
InChIKeyOANVIIBCAMCCTG-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.73
Rot. Bonds7

About N-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide

N-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide (PubChem CID 47184062) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide
PubChem CID47184062
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC NameN-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide
SMILESCCCCN(C(=O)Cc1ccc(S(N)(=O)=O)s1)C1CC1
InChIInChI=1S/C13H20N2O3S2/c1-2-3-8-15(10-4-5-10)12(16)9-11-6-7-13(19-11)20(14,17)18/h6-7,10H,2-5,8-9H2,1H3,(H2,14,17,18)
InChIKeyOANVIIBCAMCCTG-UHFFFAOYSA-N
XLogP1.73
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide?
The IUPAC name of N-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide (CID 47184062) is N-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide?
The canonical SMILES for N-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide is CCCCN(C(=O)Cc1ccc(S(N)(=O)=O)s1)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide?
The InChIKey is OANVIIBCAMCCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c1-2-3-8-15(10-4-5-10)12(16)9-11-6-7-13(19-11)20(14,17)18/h6-7,10H,2-5,8-9H2,1H3,(H2,14,17,18).
What are the key properties of N-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide?
N-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide has a molecular weight of 316.45 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-2-(5-sulfamoylthiophen-2-yl)acetamide is sourced from PubChem (CID 47184062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).