4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

C23H27N3O3S2 — CID 998509

IUPAC4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1
InChIInChI=1S/C23H27N3O3S2/c1-5-26(6-2)31(28,29)20-13-11-19(12-14-20)22(27)25-23-24-21(15-30-23)18-9-7-17(8-10-18)16(3)4/h7-16H,5-6H2,1-4H3,(H,24,25,27)
InChIKeyYLFRYHHVFGEBIB-UHFFFAOYSA-N
MW457.62 g/mol
LogP5.22
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide

4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 998509) has the molecular formula C23H27N3O3S2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID998509
Molecular FormulaC23H27N3O3S2
Molecular Weight457.62 g/mol
Exact Mass457.15
IUPAC Name4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1
InChIInChI=1S/C23H27N3O3S2/c1-5-26(6-2)31(28,29)20-13-11-19(12-14-20)22(27)25-23-24-21(15-30-23)18-9-7-17(8-10-18)16(3)4/h7-16H,5-6H2,1-4H3,(H,24,25,27)
InChIKeyYLFRYHHVFGEBIB-UHFFFAOYSA-N
XLogP5.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(phenyl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3623280
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16833562
4-(diethylsulfamoyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3385540
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 4574382
4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4100899
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
4-(diethylsulfamoyl)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2330634

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide (CID 998509) is 4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is YLFRYHHVFGEBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S2/c1-5-26(6-2)31(28,29)20-13-11-19(12-14-20)22(27)25-23-24-21(15-30-23)18-9-7-17(8-10-18)16(3)4/h7-16H,5-6H2,1-4H3,(H,24,25,27).
What are the key properties of 4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide?
4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 457.62 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 998509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).