4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide

C16H25N3O4S2 — CID 20937291

IUPAC4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide
SMILESCCCCN(C1CCN(C(C)=O)CC1)S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C16H25N3O4S2/c1-3-4-7-19(13-5-8-18(9-6-13)12(2)20)25(22,23)14-10-15(16(17)21)24-11-14/h10-11,13H,3-9H2,1-2H3,(H2,17,21)
InChIKeyGKCFLLOBXLWODX-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.65
Rot. Bonds7

About 4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide

4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide (PubChem CID 20937291) has the molecular formula C16H25N3O4S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide
PubChem CID20937291
Molecular FormulaC16H25N3O4S2
Molecular Weight387.53 g/mol
Exact Mass387.13
IUPAC Name4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide
SMILESCCCCN(C1CCN(C(C)=O)CC1)S(=O)(=O)c1csc(C(N)=O)c1
InChIInChI=1S/C16H25N3O4S2/c1-3-4-7-19(13-5-8-18(9-6-13)12(2)20)25(22,23)14-10-15(16(17)21)24-11-14/h10-11,13H,3-9H2,1-2H3,(H2,17,21)
InChIKeyGKCFLLOBXLWODX-UHFFFAOYSA-N
XLogP1.65
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide (CID 20937291) is 4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide is CCCCN(C1CCN(C(C)=O)CC1)S(=O)(=O)c1csc(C(N)=O)c1.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide?
The InChIKey is GKCFLLOBXLWODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S2/c1-3-4-7-19(13-5-8-18(9-6-13)12(2)20)25(22,23)14-10-15(16(17)21)24-11-14/h10-11,13H,3-9H2,1-2H3,(H2,17,21).
What are the key properties of 4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide?
4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)-butylsulfamoyl]thiophene-2-carboxamide is sourced from PubChem (CID 20937291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).