N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C22H32N4O3S2 — CID 55487784

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(Cc3csc(C)n3)CC2)cc1
InChIInChI=1S/C22H32N4O3S2/c1-4-26(5-2)31(28,29)21-8-6-18(7-9-21)14-23-22(27)19-10-12-25(13-11-19)15-20-16-30-17(3)24-20/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,23,27)
InChIKeyWRMBIDDMBXCHKJ-UHFFFAOYSA-N
MW464.66 g/mol
LogP3.01
Rot. Bonds9

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 55487784) has the molecular formula C22H32N4O3S2 and a molecular weight of 464.66 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID55487784
Molecular FormulaC22H32N4O3S2
Molecular Weight464.66 g/mol
Exact Mass464.19
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(Cc3csc(C)n3)CC2)cc1
InChIInChI=1S/C22H32N4O3S2/c1-4-26(5-2)31(28,29)21-8-6-18(7-9-21)14-23-22(27)19-10-12-25(13-11-19)15-20-16-30-17(3)24-20/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,23,27)
InChIKeyWRMBIDDMBXCHKJ-UHFFFAOYSA-N
XLogP3.01
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.66
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
N-[2-(benzenesulfonyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583013
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583155
N-(2,2-diphenylethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56540520
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56585989
4-N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17484027
1-(4-fluorophenyl)sulfonyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-4-carboxamide
CID 24509082
N-[2-(4-chloroanilino)-2-oxoethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56583103
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 126767888
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[4-(prop-2-enylcarbamoylamino)phenyl]piperidine-4-carboxamide
CID 56582320
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558337

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 55487784) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCN(Cc3csc(C)n3)CC2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WRMBIDDMBXCHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S2/c1-4-26(5-2)31(28,29)21-8-6-18(7-9-21)14-23-22(27)19-10-12-25(13-11-19)15-20-16-30-17(3)24-20/h6-9,16,19H,4-5,10-15H2,1-3H3,(H,23,27).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 464.66 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55487784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).