5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide

C21H29N3O3S2 — CID 134014499

IUPAC5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1
InChIInChI=1S/C21H29N3O3S2/c1-4-23(16-17-9-8-14-28-17)21(25)19-15-18(29(26,27)22(2)3)10-11-20(19)24-12-6-5-7-13-24/h8-11,14-15H,4-7,12-13,16H2,1-3H3
InChIKeyGCVUIBHUXGNCMF-UHFFFAOYSA-N
MW435.62 g/mol
LogP3.65
Rot. Bonds7

About 5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide

5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 134014499) has the molecular formula C21H29N3O3S2 and a molecular weight of 435.62 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID134014499
Molecular FormulaC21H29N3O3S2
Molecular Weight435.62 g/mol
Exact Mass435.17
IUPAC Name5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1
InChIInChI=1S/C21H29N3O3S2/c1-4-23(16-17-9-8-14-28-17)21(25)19-15-18(29(26,27)22(2)3)10-11-20(19)24-12-6-5-7-13-24/h8-11,14-15H,4-7,12-13,16H2,1-3H3
InChIKeyGCVUIBHUXGNCMF-UHFFFAOYSA-N
XLogP3.65
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 51149690
N-benzyl-5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-ylbenzamide
CID 16560694
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 43027310
N-benzyl-5-(dimethylsulfamoyl)-N-methyl-2-pyrrolidin-1-ylbenzamide
CID 29200489
N,N-diethyl-2-pyrrolidin-1-yl-5-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 1066262
2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide
CID 33031977
5-(dimethylsulfamoyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18170670
5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide
CID 55364063
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
2-oxopropyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 29200680
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115
N-ethyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 115578683

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide (CID 134014499) is 5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide is CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is GCVUIBHUXGNCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S2/c1-4-23(16-17-9-8-14-28-17)21(25)19-15-18(29(26,27)22(2)3)10-11-20(19)24-12-6-5-7-13-24/h8-11,14-15H,4-7,12-13,16H2,1-3H3.
What are the key properties of 5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide?
5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 435.62 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 134014499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).