N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C20H26N4O3S2 — CID 137361491

IUPACN-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(S(=O)(=O)N(C)C)cc3)CC2)s1
InChIInChI=1S/C20H26N4O3S2/c1-15(25)22-20-21-13-18(28-20)14-24-10-8-17(9-11-24)12-16-4-6-19(7-5-16)29(26,27)23(2)3/h4-7,12-13H,8-11,14H2,1-3H3,(H,21,22,25)
InChIKeyNGFUKMAJVLDXCX-UHFFFAOYSA-N
MW434.59 g/mol
LogP3.03
Rot. Bonds6

About N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 137361491) has the molecular formula C20H26N4O3S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID137361491
Molecular FormulaC20H26N4O3S2
Molecular Weight434.59 g/mol
Exact Mass434.14
IUPAC NameN-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(S(=O)(=O)N(C)C)cc3)CC2)s1
InChIInChI=1S/C20H26N4O3S2/c1-15(25)22-20-21-13-18(28-20)14-24-10-8-17(9-11-24)12-16-4-6-19(7-5-16)29(26,27)23(2)3/h4-7,12-13H,8-11,14H2,1-3H3,(H,21,22,25)
InChIKeyNGFUKMAJVLDXCX-UHFFFAOYSA-N
XLogP3.03
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

1-[5-[4-(Methylthio)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
CID 46907676
1-Methyl-N-(5-phenylthiazol-2-yl)piperidine-4-carboxamide
CID 131953480
N-(5-((4-phenylpiperidin-1-yl)methyl)thiazol-2-yl)acetamide
CID 778225
N-hydroxy-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 11417689
(E)-N-hydroxy-3-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide
CID 11603909
N-[5-[[4-(3-methylphenyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 86275056
N-[5-(4-fluoro-4-phenyl-piperidin-1-ylmethyl)-thiazol-2-yl]-acetamide
CID 86275306
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide
CID 163368392
US10913733, Example 26
CID 129251519
US10913733, Example 27
CID 129251562
6-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)hexanamide
CID 647437
(E)-N-hydroxy-3-[2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazol-5-yl]prop-2-enamide
CID 11547141

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 137361491) is N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3ccc(S(=O)(=O)N(C)C)cc3)CC2)s1.
What is the InChIKey of N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NGFUKMAJVLDXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S2/c1-15(25)22-20-21-13-18(28-20)14-24-10-8-17(9-11-24)12-16-4-6-19(7-5-16)29(26,27)23(2)3/h4-7,12-13H,8-11,14H2,1-3H3,(H,21,22,25).
What are the key properties of N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 434.59 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[[4-(dimethylsulfamoyl)phenyl]methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 137361491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).