5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide

C22H24ClN3O4S2 — CID 23442567

IUPAC5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(C)CCCNc1ncc(C(=O)c2ccccc2C)s1
InChIInChI=1S/C22H24ClN3O4S2/c1-15-7-4-5-8-17(15)21(27)19-14-25-22(31-19)24-11-6-12-26(2)32(28,29)20-13-16(23)9-10-18(20)30-3/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,24,25)
InChIKeyXKPOMJZICCJAOO-UHFFFAOYSA-N
MW494.04 g/mol
LogP4.47
Rot. Bonds10

About 5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide

5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide (PubChem CID 23442567) has the molecular formula C22H24ClN3O4S2 and a molecular weight of 494.04 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
PubChem CID23442567
Molecular FormulaC22H24ClN3O4S2
Molecular Weight494.04 g/mol
Exact Mass493.09
IUPAC Name5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N(C)CCCNc1ncc(C(=O)c2ccccc2C)s1
InChIInChI=1S/C22H24ClN3O4S2/c1-15-7-4-5-8-17(15)21(27)19-14-25-22(31-19)24-11-6-12-26(2)32(28,29)20-13-16(23)9-10-18(20)30-3/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,24,25)
InChIKeyXKPOMJZICCJAOO-UHFFFAOYSA-N
XLogP4.47
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.04
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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
3-fluoro-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide
CID 23442586
N-[5-[[5-(2-chlorobenzoyl)-1,3-thiazol-2-yl]amino]pentyl]-2-methoxy-5-methylbenzenesulfonamide
CID 23442606
5-fluoro-2-methyl-N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]benzenesulfonamide
CID 23442503
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346
N-[5-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]pentyl]thiophene-3-sulfonamide
CID 90709866
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 45373328
[2-(3-aminopropylamino)-1,3-thiazol-5-yl]-(2-methyl-3-pyridinyl)methanone
CID 23442752
1-cyclohexyl-3-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]urea
CID 23442545
methyl 2-[3-(N-methylanilino)propylamino]-1,3-thiazole-5-carboxylate
CID 80569027
methyl 2-[4-(dimethylamino)butylamino]-1,3-thiazole-5-carboxylate
CID 80571028
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 100796036

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide (CID 23442567) is 5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)N(C)CCCNc1ncc(C(=O)c2ccccc2C)s1.
What is the InChIKey of 5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide?
The InChIKey is XKPOMJZICCJAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S2/c1-15-7-4-5-8-17(15)21(27)19-14-25-22(31-19)24-11-6-12-26(2)32(28,29)20-13-16(23)9-10-18(20)30-3/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,24,25).
What are the key properties of 5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide?
5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide has a molecular weight of 494.04 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-methyl-N-[3-[[5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino]propyl]benzenesulfonamide is sourced from PubChem (CID 23442567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).