3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

C21H23N3O3S2 — CID 19221513

IUPAC3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C21H23N3O3S2/c1-15(2)17-6-3-16(4-7-17)5-12-20(25)23-18-8-10-19(11-9-18)29(26,27)24-21-22-13-14-28-21/h3-4,6-11,13-15H,5,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVRJKIACOGMBSER-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.64
Rot. Bonds8

About 3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide

3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 19221513) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
PubChem CID19221513
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC Name3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C21H23N3O3S2/c1-15(2)17-6-3-16(4-7-17)5-12-20(25)23-18-8-10-19(11-9-18)29(26,27)24-21-22-13-14-28-21/h3-4,6-11,13-15H,5,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyVRJKIACOGMBSER-UHFFFAOYSA-N
XLogP4.64
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
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(3S)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
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4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide (CID 19221513) is 3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1.
What is the InChIKey of 3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is VRJKIACOGMBSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-15(2)17-6-3-16(4-7-17)5-12-20(25)23-18-8-10-19(11-9-18)29(26,27)24-21-22-13-14-28-21/h3-4,6-11,13-15H,5,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide?
3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 429.57 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 19221513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).