4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

C17H20N2O3S2 — CID 2675231

IUPAC4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H20N2O3S2/c20-17(18-13-15-5-4-12-23-15)14-6-8-16(9-7-14)24(21,22)19-10-2-1-3-11-19/h4-9,12H,1-3,10-11,13H2,(H,18,20)
InChIKeyCCGOGGRTTWVMPU-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.85
Rot. Bonds5

About 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 2675231) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID2675231
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H20N2O3S2/c20-17(18-13-15-5-4-12-23-15)14-6-8-16(9-7-14)24(21,22)19-10-2-1-3-11-19/h4-9,12H,1-3,10-11,13H2,(H,18,20)
InChIKeyCCGOGGRTTWVMPU-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-(aminosulfonyl)phenyl)ethyl)-2-(2-thienyl)acetamide
CID 670786
N-[(4-sulfamoylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 694792
Piperidine Derivative 3m
CID 14096766
1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2527187
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
4-(Thiomorpholin-4-ylsulfonyl)benzamide
CID 6463499

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 2675231) is 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CCGOGGRTTWVMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c20-17(18-13-15-5-4-12-23-15)14-6-8-16(9-7-14)24(21,22)19-10-2-1-3-11-19/h4-9,12H,1-3,10-11,13H2,(H,18,20).
What are the key properties of 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 2675231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).