5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide

C22H30N4O3S2 — CID 24603990

IUPAC5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2nc3c(s2)CCCCC3)c1
InChIInChI=1S/C22H30N4O3S2/c1-25(2)31(28,29)16-11-12-19(26-13-7-4-8-14-26)17(15-16)21(27)24-22-23-18-9-5-3-6-10-20(18)30-22/h11-12,15H,3-10,13-14H2,1-2H3,(H,23,24,27)
InChIKeyPGALLPGARPZCOU-UHFFFAOYSA-N
MW462.64 g/mol
LogP3.90
Rot. Bonds5

About 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide

5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide (PubChem CID 24603990) has the molecular formula C22H30N4O3S2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
PubChem CID24603990
Molecular FormulaC22H30N4O3S2
Molecular Weight462.64 g/mol
Exact Mass462.18
IUPAC Name5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2nc3c(s2)CCCCC3)c1
InChIInChI=1S/C22H30N4O3S2/c1-25(2)31(28,29)16-11-12-19(26-13-7-4-8-14-26)17(15-16)21(27)24-22-23-18-9-5-3-6-10-20(18)30-22/h11-12,15H,3-10,13-14H2,1-2H3,(H,23,24,27)
InChIKeyPGALLPGARPZCOU-UHFFFAOYSA-N
XLogP3.90
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 24611843
5-(diethylsulfamoyl)-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 46560722
5-(diethylsulfamoyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 112764899
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289008
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982823
5-(diethylsulfamoyl)-N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-pyrrolidin-1-ylbenzamide
CID 2463925
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344
5-(dimethylsulfamoyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55964496
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 55673941
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 26900961

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide (CID 24603990) is 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide is CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2nc3c(s2)CCCCC3)c1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
The InChIKey is PGALLPGARPZCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S2/c1-25(2)31(28,29)16-11-12-19(26-13-7-4-8-14-26)17(15-16)21(27)24-22-23-18-9-5-3-6-10-20(18)30-22/h11-12,15H,3-10,13-14H2,1-2H3,(H,23,24,27).
What are the key properties of 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide?
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide has a molecular weight of 462.64 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 24603990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).