5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide

C19H22N2O2S3 — CID 50835080

IUPAC5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)NCC(C)c3ccccc3)c(C)s2)sc1C
InChIInChI=1S/C19H22N2O2S3/c1-12(16-8-6-5-7-9-16)11-20-26(22,23)18-10-17(24-15(18)4)19-21-13(2)14(3)25-19/h5-10,12,20H,11H2,1-4H3
InChIKeyRUDLUBLHIOADOD-UHFFFAOYSA-N
MW406.60 g/mol
LogP4.88
Rot. Bonds6

About 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide

5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide (PubChem CID 50835080) has the molecular formula C19H22N2O2S3 and a molecular weight of 406.60 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide
PubChem CID50835080
Molecular FormulaC19H22N2O2S3
Molecular Weight406.60 g/mol
Exact Mass406.08
IUPAC Name5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide
SMILESCc1nc(-c2cc(S(=O)(=O)NCC(C)c3ccccc3)c(C)s2)sc1C
InChIInChI=1S/C19H22N2O2S3/c1-12(16-8-6-5-7-9-16)11-20-26(22,23)18-10-17(24-15(18)4)19-21-13(2)14(3)25-19/h5-10,12,20H,11H2,1-4H3
InChIKeyRUDLUBLHIOADOD-UHFFFAOYSA-N
XLogP4.88
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.60
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide (CID 50835080) is 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide is Cc1nc(-c2cc(S(=O)(=O)NCC(C)c3ccccc3)c(C)s2)sc1C.
What is the InChIKey of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide?
The InChIKey is RUDLUBLHIOADOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S3/c1-12(16-8-6-5-7-9-16)11-20-26(22,23)18-10-17(24-15(18)4)19-21-13(2)14(3)25-19/h5-10,12,20H,11H2,1-4H3.
What are the key properties of 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide?
5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide has a molecular weight of 406.60 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-N-(2-phenylpropyl)thiophene-3-sulfonamide is sourced from PubChem (CID 50835080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).