4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

C19H21N3O3S4 — CID 53133711

IUPAC4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1nc(-c2csc(S(=O)(=O)NCc3cccs3)c2)sc1C(=O)N1CCCCC1
InChIInChI=1S/C19H21N3O3S4/c1-13-17(19(23)22-7-3-2-4-8-22)28-18(21-13)14-10-16(27-12-14)29(24,25)20-11-15-6-5-9-26-15/h5-6,9-10,12,20H,2-4,7-8,11H2,1H3
InChIKeyDSGYXDLMJOMLPC-UHFFFAOYSA-N
MW467.66 g/mol
LogP4.35
Rot. Bonds6

About 4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide

4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 53133711) has the molecular formula C19H21N3O3S4 and a molecular weight of 467.66 g/mol. Its IUPAC name is 4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID53133711
Molecular FormulaC19H21N3O3S4
Molecular Weight467.66 g/mol
Exact Mass467.05
IUPAC Name4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1nc(-c2csc(S(=O)(=O)NCc3cccs3)c2)sc1C(=O)N1CCCCC1
InChIInChI=1S/C19H21N3O3S4/c1-13-17(19(23)22-7-3-2-4-8-22)28-18(21-13)14-10-16(27-12-14)29(24,25)20-11-15-6-5-9-26-15/h5-6,9-10,12,20H,2-4,7-8,11H2,1H3
InChIKeyDSGYXDLMJOMLPC-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(2-phenylethyl)thiophene-2-sulfonamide
CID 53133626
N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 95092654
N-(2-chlorophenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 53133654
N-(2,4-dimethylphenyl)-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
CID 53133619
1,2-dimethyl-5-[4-methyl-5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)pyrrole-3-sulfonamide
CID 53114838
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 46380257
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 51044020
1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138748
5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
CID 43242554
N-[(3-methoxyphenyl)methyl]-1-methyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53138735
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-ethyl-1,2-dimethylpyrrole-3-sulfonamide
CID 53114923
1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(pyridin-3-ylmethyl)pyrrole-3-sulfonamide
CID 53138592

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide (CID 53133711) is 4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is Cc1nc(-c2csc(S(=O)(=O)NCc3cccs3)c2)sc1C(=O)N1CCCCC1.
What is the InChIKey of 4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is DSGYXDLMJOMLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S4/c1-13-17(19(23)22-7-3-2-4-8-22)28-18(21-13)14-10-16(27-12-14)29(24,25)20-11-15-6-5-9-26-15/h5-6,9-10,12,20H,2-4,7-8,11H2,1H3.
What are the key properties of 4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide?
4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 467.66 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53133711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).