4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide

C30H33N3O3S2 — CID 3359761

IUPAC4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C30H33N3O3S2/c1-3-5-20-33(21-6-4-2)38(35,36)27-18-16-26(17-19-27)29(34)32-30-31-28(22-37-30)25-14-12-24(13-15-25)23-10-8-7-9-11-23/h7-19,22H,3-6,20-21H2,1-2H3,(H,31,32,34)
InChIKeyDZYKBADTCRTOTH-UHFFFAOYSA-N
MW547.75 g/mol
LogP7.32
Rot. Bonds12

About 4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide

4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 3359761) has the molecular formula C30H33N3O3S2 and a molecular weight of 547.75 g/mol. Its IUPAC name is 4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID3359761
Molecular FormulaC30H33N3O3S2
Molecular Weight547.75 g/mol
Exact Mass547.20
IUPAC Name4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1
InChIInChI=1S/C30H33N3O3S2/c1-3-5-20-33(21-6-4-2)38(35,36)27-18-16-26(17-19-27)29(34)32-30-31-28(22-37-30)25-14-12-24(13-15-25)23-10-8-7-9-11-23/h7-19,22H,3-6,20-21H2,1-2H3,(H,31,32,34)
InChIKeyDZYKBADTCRTOTH-UHFFFAOYSA-N
XLogP7.32
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.75
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 4100899
4-(dibutylsulfamoyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4098935
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
4-[bis(prop-2-enyl)sulfamoyl]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4129034
4-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 5129133
4-[benzyl(propan-2-yl)sulfamoyl]-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 43947050
4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 998509
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
4-[methyl(phenyl)sulfamoyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4177546
4-[ethyl(phenyl)sulfamoyl]-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3623280
4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzamide
CID 4138980

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide (CID 3359761) is 4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide is CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1.
What is the InChIKey of 4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is DZYKBADTCRTOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3S2/c1-3-5-20-33(21-6-4-2)38(35,36)27-18-16-26(17-19-27)29(34)32-30-31-28(22-37-30)25-14-12-24(13-15-25)23-10-8-7-9-11-23/h7-19,22H,3-6,20-21H2,1-2H3,(H,31,32,34).
What are the key properties of 4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide?
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 547.75 g/mol, XLogP of 7.32, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 3359761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).