5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide

C24H28FN3O3S2 — CID 121452651

IUPAC5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2sc(N(C)C3CCCCC3)nc2C)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C24H28FN3O3S2/c1-16-23(32-24(26-16)28(2)20-10-5-4-6-11-20)17-12-13-21(31-3)22(14-17)33(29,30)27-19-9-7-8-18(25)15-19/h7-9,12-15,20,27H,4-6,10-11H2,1-3H3
InChIKeyCYTOGACMKRNSEL-UHFFFAOYSA-N
MW489.64 g/mol
LogP5.84
Rot. Bonds7

About 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide

5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide (PubChem CID 121452651) has the molecular formula C24H28FN3O3S2 and a molecular weight of 489.64 g/mol. Its IUPAC name is 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide
PubChem CID121452651
Molecular FormulaC24H28FN3O3S2
Molecular Weight489.64 g/mol
Exact Mass489.16
IUPAC Name5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(-c2sc(N(C)C3CCCCC3)nc2C)cc1S(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C24H28FN3O3S2/c1-16-23(32-24(26-16)28(2)20-10-5-4-6-11-20)17-12-13-21(31-3)22(14-17)33(29,30)27-19-9-7-8-18(25)15-19/h7-9,12-15,20,27H,4-6,10-11H2,1-3H3
InChIKeyCYTOGACMKRNSEL-UHFFFAOYSA-N
XLogP5.84
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(cyclohexylmethylamino)-4-methyl-1,3-thiazol-5-yl]-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 121452634
N-[5-[3-[(3-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 71549510
5-[2-(cyclohexylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 89493911
5-[2-(cycloheptylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 89493822
N-(3-chloro-4-methylphenyl)-5-[2-(cyclohexylmethyl)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzenesulfonamide
CID 71548812
[4-[[5-[2-(cyclopentanecarbonylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]phenyl] acetate
CID 71549228
N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 71550486
N-[5-[4-methoxy-3-[(2-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 89493829
2-cyclopentyl-N-[5-[3-[(3-hydroxy-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 121452726
N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 71549649
N-(6-chloro-4-methyl-3-pyridinyl)-5-[2-(cycloheptylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxybenzenesulfonamide
CID 121467275
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087

Frequently Asked Questions

What is the IUPAC name of 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide (CID 121452651) is 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide is COc1ccc(-c2sc(N(C)C3CCCCC3)nc2C)cc1S(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is CYTOGACMKRNSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3S2/c1-16-23(32-24(26-16)28(2)20-10-5-4-6-11-20)17-12-13-21(31-3)22(14-17)33(29,30)27-19-9-7-8-18(25)15-19/h7-9,12-15,20,27H,4-6,10-11H2,1-3H3.
What are the key properties of 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide?
5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 489.64 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[cyclohexyl(methyl)amino]-4-methyl-1,3-thiazol-5-yl]-N-(3-fluorophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 121452651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).