N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide

C23H31N3O3S — CID 41468608

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O3S/c1-3-26(4-2)30(28,29)22-14-12-21(13-15-22)24-23(27)20-10-8-19(9-11-20)18-25-16-6-5-7-17-25/h8-15H,3-7,16-18H2,1-2H3,(H,24,27)
InChIKeyLHZREVNEQKBOMT-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.96
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide

N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 41468608) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID41468608
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C23H31N3O3S/c1-3-26(4-2)30(28,29)22-14-12-21(13-15-22)24-23(27)20-10-8-19(9-11-20)18-25-16-6-5-7-17-25/h8-15H,3-7,16-18H2,1-2H3,(H,24,27)
InChIKeyLHZREVNEQKBOMT-UHFFFAOYSA-N
XLogP3.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 30394443
N-[4-(diethylsulfamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55624076
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925178
4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38402732
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 8615900
2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 60575411

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide (CID 41468608) is N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is LHZREVNEQKBOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-3-26(4-2)30(28,29)22-14-12-21(13-15-22)24-23(27)20-10-8-19(9-11-20)18-25-16-6-5-7-17-25/h8-15H,3-7,16-18H2,1-2H3,(H,24,27).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 429.59 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 41468608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).