4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide

C25H28ClN3O4S2 — CID 16550177

IUPAC4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CC(C)OC(C)C4)c3)n2)c(C)c1
InChIInChI=1S/C25H28ClN3O4S2/c1-14-8-15(2)23(16(3)9-14)21-13-34-25(27-21)28-24(30)19-6-7-20(26)22(10-19)35(31,32)29-11-17(4)33-18(5)12-29/h6-10,13,17-18H,11-12H2,1-5H3,(H,27,28,30)
InChIKeyDHWHMSORRQZPCE-UHFFFAOYSA-N
MW534.10 g/mol
LogP5.44
Rot. Bonds5

About 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide

4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16550177) has the molecular formula C25H28ClN3O4S2 and a molecular weight of 534.10 g/mol. Its IUPAC name is 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID16550177
Molecular FormulaC25H28ClN3O4S2
Molecular Weight534.10 g/mol
Exact Mass533.12
IUPAC Name4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1cc(C)c(-c2csc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CC(C)OC(C)C4)c3)n2)c(C)c1
InChIInChI=1S/C25H28ClN3O4S2/c1-14-8-15(2)23(16(3)9-14)21-13-34-25(27-21)28-24(30)19-6-7-20(26)22(10-19)35(31,32)29-11-17(4)33-18(5)12-29/h6-10,13,17-18H,11-12H2,1-5H3,(H,27,28,30)
InChIKeyDHWHMSORRQZPCE-UHFFFAOYSA-N
XLogP5.44
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.10
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 16550177) is 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1cc(C)c(-c2csc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CC(C)OC(C)C4)c3)n2)c(C)c1.
What is the InChIKey of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is DHWHMSORRQZPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O4S2/c1-14-8-15(2)23(16(3)9-14)21-13-34-25(27-21)28-24(30)19-6-7-20(26)22(10-19)35(31,32)29-11-17(4)33-18(5)12-29/h6-10,13,17-18H,11-12H2,1-5H3,(H,27,28,30).
What are the key properties of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide?
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 534.10 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16550177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).