5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide

C24H29N3O3S2 — CID 89493911

IUPAC5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2sc(NC3CCCCC3)nc2C)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H29N3O3S2/c1-16-9-12-20(13-10-16)27-32(28,29)22-15-18(11-14-21(22)30-3)23-17(2)25-24(31-23)26-19-7-5-4-6-8-19/h9-15,19,27H,4-8H2,1-3H3,(H,25,26)
InChIKeyPVTMEUSZOJQVBQ-UHFFFAOYSA-N
MW471.65 g/mol
LogP5.98
Rot. Bonds7

About 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide

5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 89493911) has the molecular formula C24H29N3O3S2 and a molecular weight of 471.65 g/mol. Its IUPAC name is 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
PubChem CID89493911
Molecular FormulaC24H29N3O3S2
Molecular Weight471.65 g/mol
Exact Mass471.17
IUPAC Name5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2sc(NC3CCCCC3)nc2C)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H29N3O3S2/c1-16-9-12-20(13-10-16)27-32(28,29)22-15-18(11-14-21(22)30-3)23-17(2)25-24(31-23)26-19-7-5-4-6-8-19/h9-15,19,27H,4-8H2,1-3H3,(H,25,26)
InChIKeyPVTMEUSZOJQVBQ-UHFFFAOYSA-N
XLogP5.98
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(cycloheptylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 89493822
N-(6-chloro-4-methyl-3-pyridinyl)-5-[2-(cycloheptylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzenesulfonamide
CID 121467275
5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 121452634
[3-[[5-[2-(cycloheptylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-2,4-dimethylphenyl] 2,2,2-trifluoroacetate
CID 152934970
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-2-methylbenzenesulfonamide
CID 121452709
[4-[[5-[2-(cyclopentanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]phenyl] acetate
CID 71549228
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methoxyphenyl)benzenesulfinamide
CID 145359464
N-[5-[3-[(3-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 71549510
2-cyclopentyl-N-[5-[3-[(3-hydroxy-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 121452726
N-(3-chloro-4-methylphenyl)-5-[2-(cyclohexylmethyl)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzenesulfonamide
CID 71548812
N-[5-[4-methoxy-3-[(2-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 89493829
N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 71549649

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide (CID 89493911) is 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide is COc1ccc(-c2sc(NC3CCCCC3)nc2C)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is PVTMEUSZOJQVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S2/c1-16-9-12-20(13-10-16)27-32(28,29)22-15-18(11-14-21(22)30-3)23-17(2)25-24(31-23)26-19-7-5-4-6-8-19/h9-15,19,27H,4-8H2,1-3H3,(H,25,26).
What are the key properties of 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide?
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 471.65 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 89493911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).