N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide

C24H22ClN3O3S3 — CID 147378197

IUPACN-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide
SMILESCc1nc(C)c(-c2csc(CC(=O)Cc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc3)n2)s1
InChIInChI=1S/C24H22ClN3O3S3/c1-15-24(33-16(2)26-15)22-14-32-23(27-22)13-20(29)11-17-7-9-21(10-8-17)34(30,31)28(3)19-6-4-5-18(25)12-19/h4-10,12,14H,11,13H2,1-3H3
InChIKeyDKKXPHSADINWGA-UHFFFAOYSA-N
MW532.11 g/mol
LogP5.72
Rot. Bonds8

About N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide

N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide (PubChem CID 147378197) has the molecular formula C24H22ClN3O3S3 and a molecular weight of 532.11 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide
PubChem CID147378197
Molecular FormulaC24H22ClN3O3S3
Molecular Weight532.11 g/mol
Exact Mass531.05
IUPAC NameN-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide
SMILESCc1nc(C)c(-c2csc(CC(=O)Cc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc3)n2)s1
InChIInChI=1S/C24H22ClN3O3S3/c1-15-24(33-16(2)26-15)22-14-32-23(27-22)13-20(29)11-17-7-9-21(10-8-17)34(30,31)28(3)19-6-4-5-18(25)12-19/h4-10,12,14H,11,13H2,1-3H3
InChIKeyDKKXPHSADINWGA-UHFFFAOYSA-N
XLogP5.72
TPSA80.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.11
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-bromophenyl)-3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]propan-2-one
CID 158753198
methyl 6-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]pyridine-2-carboxylate
CID 160783527
N-(4-bromophenyl)-2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 140665747
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
2-[4-[methyl(phenyl)sulfamoyl]phenyl]acetic acid
CID 43440325
N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methylphenyl]-N,4-dimethylbenzenesulfonamide
CID 46833327
1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one
CID 158164479
1-[4-[2-(hydroxymethyl)-4-methyl-1,3-oxazol-5-yl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethylsulfonyl)phenyl]propan-2-one
CID 160597514
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 55575626
1-[5-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propan-2-one
CID 148573988
N-(4-chloro-2-methylphenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788554
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]-N-(3-methoxyphenyl)-N-methylacetamide
CID 100788351

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide (CID 147378197) is N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide is Cc1nc(C)c(-c2csc(CC(=O)Cc3ccc(S(=O)(=O)N(C)c4cccc(Cl)c4)cc3)n2)s1.
What is the InChIKey of N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide?
The InChIKey is DKKXPHSADINWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S3/c1-15-24(33-16(2)26-15)22-14-32-23(27-22)13-20(29)11-17-7-9-21(10-8-17)34(30,31)28(3)19-6-4-5-18(25)12-19/h4-10,12,14H,11,13H2,1-3H3.
What are the key properties of N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide?
N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide has a molecular weight of 532.11 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-oxopropyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 147378197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).