N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide

C23H26ClN3O4S2 — CID 23442606

IUPACN-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCCCCNc1ncc(C(=O)c2ccccc2Cl)s1
InChIInChI=1S/C23H26ClN3O4S2/c1-16-10-11-19(31-2)21(14-16)33(29,30)27-13-7-3-6-12-25-23-26-15-20(32-23)22(28)17-8-4-5-9-18(17)24/h4-5,8-11,14-15,27H,3,6-7,12-13H2,1-2H3,(H,25,26)
InChIKeyKITOQPGNBHIXGH-UHFFFAOYSA-N
MW508.07 g/mol
LogP4.91
Rot. Bonds12

About N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide

N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 23442606) has the molecular formula C23H26ClN3O4S2 and a molecular weight of 508.07 g/mol. Its IUPAC name is N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID23442606
Molecular FormulaC23H26ClN3O4S2
Molecular Weight508.07 g/mol
Exact Mass507.11
IUPAC NameN-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCCCCNc1ncc(C(=O)c2ccccc2Cl)s1
InChIInChI=1S/C23H26ClN3O4S2/c1-16-10-11-19(31-2)21(14-16)33(29,30)27-13-7-3-6-12-25-23-26-15-20(32-23)22(28)17-8-4-5-9-18(17)24/h4-5,8-11,14-15,27H,3,6-7,12-13H2,1-2H3,(H,25,26)
InChIKeyKITOQPGNBHIXGH-UHFFFAOYSA-N
XLogP4.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.07
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-4-methoxybenzenesulfonamide
CID 23442534
N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-3-fluorobenzenesulfonamide
CID 23442657
5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide
CID 23442503
5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442567
N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]thiophene-3-sulfonamide
CID 90709866
N-[4-[(2-methoxy-5-methylphenyl)sulfonylamino]butyl]acetamide
CID 110358600
2,5-dimethoxy-N-[3-[[4-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442779
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methylphenyl)methanone
CID 23442548
N-but-3-ynyl-2-methoxy-5-methylbenzenesulfonamide
CID 90537993
2-[4-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]butyl]benzenesulfonamide
CID 141075227
1-[3-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]propyl]-3-cyclohexylurea
CID 23442678

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide (CID 23442606) is N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1ncc(C(=O)c2ccccc2Cl)s1.
What is the InChIKey of N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is KITOQPGNBHIXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S2/c1-16-10-11-19(31-2)21(14-16)33(29,30)27-13-7-3-6-12-25-23-26-15-20(32-23)22(28)17-8-4-5-9-18(17)24/h4-5,8-11,14-15,27H,3,6-7,12-13H2,1-2H3,(H,25,26).
What are the key properties of N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 508.07 g/mol, XLogP of 4.91, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 23442606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).