N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide

C22H29N3O5S — CID 30274722

IUPACN-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)c(OC)c1
InChIInChI=1S/C22H29N3O5S/c1-24(2)31(27,28)17-9-11-20(25-12-6-5-7-13-25)18(15-17)22(26)23-19-10-8-16(29-3)14-21(19)30-4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,23,26)
InChIKeyPTSPRKPRPOMTTJ-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.20
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide

N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide (PubChem CID 30274722) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
PubChem CID30274722
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)c(OC)c1
InChIInChI=1S/C22H29N3O5S/c1-24(2)31(27,28)17-9-11-20(25-12-6-5-7-13-25)18(15-17)22(26)23-19-10-8-16(29-3)14-21(19)30-4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,23,26)
InChIKeyPTSPRKPRPOMTTJ-UHFFFAOYSA-N
XLogP3.20
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24979674
N-(2,4-difluorophenyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 24982823
(4-methoxyphenyl) 5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzoate
CID 16573126
5-(dimethylsulfamoyl)-N-propan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 29198666
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26289008
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-pyridin-4-ylbenzamide
CID 51251633
5-(dimethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-piperidin-1-ylbenzamide
CID 55364063
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 40796867
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate
CID 40796868
5-(dimethylsulfamoyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylbenzamide
CID 55887664
5-(dimethylsulfamoyl)-N-(3-methylbutan-2-yl)-2-piperidin-1-ylbenzamide
CID 51250980
N-(2-aminoethyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 119384344

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide (CID 30274722) is N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide is COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCCC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
The InChIKey is PTSPRKPRPOMTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-24(2)31(27,28)17-9-11-20(25-12-6-5-7-13-25)18(15-17)22(26)23-19-10-8-16(29-3)14-21(19)30-4/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,23,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide?
N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide has a molecular weight of 447.56 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 30274722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).