4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C24H29N3O4S2 — CID 87722263

IUPAC4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C24H29N3O4S2/c1-4-5-6-7-17(2)27-33(29,30)21-14-10-19(11-15-21)23(28)26-24-25-22(16-32-24)18-8-12-20(31-3)13-9-18/h8-17,27H,4-7H2,1-3H3,(H,25,26,28)
InChIKeyMIUKSINUUMSHEL-UHFFFAOYSA-N
MW487.65 g/mol
LogP5.32
Rot. Bonds11

About 4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 87722263) has the molecular formula C24H29N3O4S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID87722263
Molecular FormulaC24H29N3O4S2
Molecular Weight487.65 g/mol
Exact Mass487.16
IUPAC Name4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C24H29N3O4S2/c1-4-5-6-7-17(2)27-33(29,30)21-14-10-19(11-15-21)23(28)26-24-25-22(16-32-24)18-8-12-20(31-3)13-9-18/h8-17,27H,4-7H2,1-3H3,(H,25,26,28)
InChIKeyMIUKSINUUMSHEL-UHFFFAOYSA-N
XLogP5.32
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-sulfanylbenzamide;N-methylpentan-1-amine
CID 145490016
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 4785270
4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4098935
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55941569
4-heptoxy-N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4501198
4-(ethylsulfamoyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 78828085
4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043156
4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4100899
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045194
4-heptoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4500684

Frequently Asked Questions

What is the IUPAC name of 4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 87722263) is 4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is CCCCCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1.
What is the InChIKey of 4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is MIUKSINUUMSHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S2/c1-4-5-6-7-17(2)27-33(29,30)21-14-10-19(11-15-21)23(28)26-24-25-22(16-32-24)18-8-12-20(31-3)13-9-18/h8-17,27H,4-7H2,1-3H3,(H,25,26,28).
What are the key properties of 4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 487.65 g/mol, XLogP of 5.32, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(heptan-2-ylsulfamoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 87722263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).