2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide

C21H30N2O3S2 — CID 155693695

IUPAC2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OCCC(C)C)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C21H30N2O3S2/c1-15(2)11-12-26-17-9-10-18(20(13-17)28(24,25)22-3)19-14-23-21(27-19)16-7-5-4-6-8-16/h9-10,13-16,22H,4-8,11-12H2,1-3H3
InChIKeyJDLASHDCBLHWGG-UHFFFAOYSA-N
MW422.62 g/mol
LogP5.19
Rot. Bonds8

About 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide

2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide (PubChem CID 155693695) has the molecular formula C21H30N2O3S2 and a molecular weight of 422.62 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide
PubChem CID155693695
Molecular FormulaC21H30N2O3S2
Molecular Weight422.62 g/mol
Exact Mass422.17
IUPAC Name2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide
SMILESCNS(=O)(=O)c1cc(OCCC(C)C)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C21H30N2O3S2/c1-15(2)11-12-26-17-9-10-18(20(13-17)28(24,25)22-3)19-14-23-21(27-19)16-7-5-4-6-8-16/h9-10,13-16,22H,4-8,11-12H2,1-3H3
InChIKeyJDLASHDCBLHWGG-UHFFFAOYSA-N
XLogP5.19
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide?
The IUPAC name of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide (CID 155693695) is 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide.
What is the SMILES notation for 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide?
The canonical SMILES for 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide is CNS(=O)(=O)c1cc(OCCC(C)C)ccc1-c1cnc(C2CCCCC2)s1.
What is the InChIKey of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide?
The InChIKey is JDLASHDCBLHWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3S2/c1-15(2)11-12-26-17-9-10-18(20(13-17)28(24,25)22-3)19-14-23-21(27-19)16-7-5-4-6-8-16/h9-10,13-16,22H,4-8,11-12H2,1-3H3.
What are the key properties of 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide?
2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide has a molecular weight of 422.62 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1,3-thiazol-5-yl)-N-methyl-5-(3-methylbutoxy)benzenesulfonamide is sourced from PubChem (CID 155693695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).