N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide

C19H21N3O3S4 — CID 33349321

IUPACN-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCc1nc(-c2cccs2)c(CC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)s1
InChIInChI=1S/C19H21N3O3S4/c1-13-20-19(15-4-2-10-26-15)16(28-13)12-17(23)22-8-6-14(7-9-22)21-29(24,25)18-5-3-11-27-18/h2-5,10-11,14,21H,6-9,12H2,1H3
InChIKeyMLISVPHVAQGSDG-UHFFFAOYSA-N
MW467.66 g/mol
LogP3.75
Rot. Bonds6

About N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide

N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 33349321) has the molecular formula C19H21N3O3S4 and a molecular weight of 467.66 g/mol. Its IUPAC name is N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID33349321
Molecular FormulaC19H21N3O3S4
Molecular Weight467.66 g/mol
Exact Mass467.05
IUPAC NameN-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
SMILESCc1nc(-c2cccs2)c(CC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)s1
InChIInChI=1S/C19H21N3O3S4/c1-13-20-19(15-4-2-10-26-15)16(28-13)12-17(23)22-8-6-14(7-9-22)21-29(24,25)18-5-3-11-27-18/h2-5,10-11,14,21H,6-9,12H2,1H3
InChIKeyMLISVPHVAQGSDG-UHFFFAOYSA-N
XLogP3.75
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.66
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[1-(2-amino-2-methylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide;hydrochloride
CID 119291177
2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 28714175
N-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33168871
N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 17482603
N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36762015
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46565675
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-methyl-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]prop-2-enamide
CID 166406523
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide (CID 33349321) is N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide is Cc1nc(-c2cccs2)c(CC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)s1.
What is the InChIKey of N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is MLISVPHVAQGSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S4/c1-13-20-19(15-4-2-10-26-15)16(28-13)12-17(23)22-8-6-14(7-9-22)21-29(24,25)18-5-3-11-27-18/h2-5,10-11,14,21H,6-9,12H2,1H3.
What are the key properties of N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 467.66 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 33349321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).