4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide

C39H51N5O6S3 — CID 4100899

IUPAC4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(CCCC)CCCC)cc4)n3)cc2)cc1
InChIInChI=1S/C39H51N5O6S3/c1-5-9-25-43(26-10-6-2)52(47,48)34-21-15-31(16-22-34)37(45)40-33-19-13-30(14-20-33)36-29-51-39(41-36)42-38(46)32-17-23-35(24-18-32)53(49,50)44(27-11-7-3)28-12-8-4/h13-24,29H,5-12,25-28H2,1-4H3,(H,40,45)(H,41,42,46)
InChIKeyDYVZMAZGXKAZPT-UHFFFAOYSA-N
MW782.07 g/mol
LogP8.50
Rot. Bonds21

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

4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 4100899) has the molecular formula C39H51N5O6S3 and a molecular weight of 782.07 g/mol. Its IUPAC name is 4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID4100899
Molecular FormulaC39H51N5O6S3
Molecular Weight782.07 g/mol
Exact Mass781.30
IUPAC Name4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(CCCC)CCCC)cc4)n3)cc2)cc1
InChIInChI=1S/C39H51N5O6S3/c1-5-9-25-43(26-10-6-2)52(47,48)34-21-15-31(16-22-34)37(45)40-33-19-13-30(14-20-33)36-29-51-39(41-36)42-38(46)32-17-23-35(24-18-32)53(49,50)44(27-11-7-3)28-12-8-4/h13-24,29H,5-12,25-28H2,1-4H3,(H,40,45)(H,41,42,46)
InChIKeyDYVZMAZGXKAZPT-UHFFFAOYSA-N
XLogP8.50
TPSA145.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.07
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide with MolForge

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Related Compounds

4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
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-[butyl(methyl)sulfamoyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 5129133
4-(diethylsulfamoyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 998509
4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzamide
CID 4138980
ethyl 2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazole-4-carboxylate
CID 3646213
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 34314459
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
4-(dipropylsulfamoyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5066682
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 4574382
4-(diethylsulfamoyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3385540

Frequently Asked Questions

What is the IUPAC name of 4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide (CID 4100899) is 4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide is CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3csc(NC(=O)c4ccc(S(=O)(=O)N(CCCC)CCCC)cc4)n3)cc2)cc1.
What is the InChIKey of 4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is DYVZMAZGXKAZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H51N5O6S3/c1-5-9-25-43(26-10-6-2)52(47,48)34-21-15-31(16-22-34)37(45)40-33-19-13-30(14-20-33)36-29-51-39(41-36)42-38(46)32-17-23-35(24-18-32)53(49,50)44(27-11-7-3)28-12-8-4/h13-24,29H,5-12,25-28H2,1-4H3,(H,40,45)(H,41,42,46).
What are the key properties of 4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide?
4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 782.07 g/mol, XLogP of 8.50, 21 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylsulfamoyl)-N-[4-[2-[[4-(dibutylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 4100899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).