5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide

C23H26FN3O3S2 — CID 23442503

IUPAC5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(NCCCCCNS(=O)(=O)c2cc(F)ccc2C)s1
InChIInChI=1S/C23H26FN3O3S2/c1-16-8-4-5-9-19(16)22(28)20-15-26-23(31-20)25-12-6-3-7-13-27-32(29,30)21-14-18(24)11-10-17(21)2/h4-5,8-11,14-15,27H,3,6-7,12-13H2,1-2H3,(H,25,26)
InChIKeyNMEFGKFQJFGAPI-UHFFFAOYSA-N
MW475.61 g/mol
LogP4.69
Rot. Bonds11

About 5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide

5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide (PubChem CID 23442503) has the molecular formula C23H26FN3O3S2 and a molecular weight of 475.61 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide
PubChem CID23442503
Molecular FormulaC23H26FN3O3S2
Molecular Weight475.61 g/mol
Exact Mass475.14
IUPAC Name5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide
SMILESCc1ccccc1C(=O)c1cnc(NCCCCCNS(=O)(=O)c2cc(F)ccc2C)s1
InChIInChI=1S/C23H26FN3O3S2/c1-16-8-4-5-9-19(16)22(28)20-15-26-23(31-20)25-12-6-3-7-13-27-32(29,30)21-14-18(24)11-10-17(21)2/h4-5,8-11,14-15,27H,3,6-7,12-13H2,1-2H3,(H,25,26)
InChIKeyNMEFGKFQJFGAPI-UHFFFAOYSA-N
XLogP4.69
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N,2-dimethyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442639
N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]thiophene-3-sulfonamide
CID 90709866
N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide
CID 23442657
3-fluoro-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442586
4-fluoro-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
CID 23442573
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 23442548
4-fluoro-N-[3-[[5-(4-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442746
N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide
CID 23442606
2-methyl-N-[3-[methyl-[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 24887011
2-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butyl]benzenesulfonamide
CID 141075227
2-fluoro-N-[[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]phenyl]methyl]benzenesulfonamide
CID 11431608
[2-(ethylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone;propan-1-amine;hydrochloride
CID 142276499

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide (CID 23442503) is 5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide is Cc1ccccc1C(=O)c1cnc(NCCCCCNS(=O)(=O)c2cc(F)ccc2C)s1.
What is the InChIKey of 5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide?
The InChIKey is NMEFGKFQJFGAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3S2/c1-16-8-4-5-9-19(16)22(28)20-15-26-23(31-20)25-12-6-3-7-13-27-32(29,30)21-14-18(24)11-10-17(21)2/h4-5,8-11,14-15,27H,3,6-7,12-13H2,1-2H3,(H,25,26).
What are the key properties of 5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide?
5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide has a molecular weight of 475.61 g/mol, XLogP of 4.69, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide is sourced from PubChem (CID 23442503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).