4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide

C17H21N3O3S2 — CID 131920401

IUPAC4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC2CCCN(Cc3cccs3)C2)cc1
InChIInChI=1S/C17H21N3O3S2/c18-17(21)13-5-7-16(8-6-13)25(22,23)19-14-3-1-9-20(11-14)12-15-4-2-10-24-15/h2,4-8,10,14,19H,1,3,9,11-12H2,(H2,18,21)
InChIKeyQXXJLESYLSPTKJ-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.79
Rot. Bonds6

About 4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide

4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide (PubChem CID 131920401) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide
PubChem CID131920401
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC Name4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)NC2CCCN(Cc3cccs3)C2)cc1
InChIInChI=1S/C17H21N3O3S2/c18-17(21)13-5-7-16(8-6-13)25(22,23)19-14-3-1-9-20(11-14)12-15-4-2-10-24-15/h2,4-8,10,14,19H,1,3,9,11-12H2,(H2,18,21)
InChIKeyQXXJLESYLSPTKJ-UHFFFAOYSA-N
XLogP1.79
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzenesulfonamide
CID 131935000
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine-3-sulfonamide
CID 131922128
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-4-sulfonamide
CID 131904796
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]azepane-1-sulfonamide
CID 131895476
4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
CID 131929491
4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide
CID 34709804
2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]benzoic acid
CID 131904569
5-oxo-5-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pentanamide
CID 131905750
5-acetyl-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 97438421
4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
CID 56911223
N-(1-ethylpiperidin-3-yl)-4-hydroxybenzenesulfonamide
CID 61478239
3-[3-(benzenesulfonamido)piperidin-1-yl]propanoic acid;hydrochloride
CID 56802015

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide?
The IUPAC name of 4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide (CID 131920401) is 4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for 4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide?
The canonical SMILES for 4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)NC2CCCN(Cc3cccs3)C2)cc1.
What is the InChIKey of 4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide?
The InChIKey is QXXJLESYLSPTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c18-17(21)13-5-7-16(8-6-13)25(22,23)19-14-3-1-9-20(11-14)12-15-4-2-10-24-15/h2,4-8,10,14,19H,1,3,9,11-12H2,(H2,18,21).
What are the key properties of 4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide?
4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide has a molecular weight of 379.51 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 131920401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).