4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide

C31H35N3O3S2 — CID 3346909

IUPAC4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
SMILESCCCc1sc(NC(=O)c2ccc(S(=O)(=O)N(CCC)CCC)cc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H35N3O3S2/c1-4-10-28-29(25-15-13-24(14-16-25)23-11-8-7-9-12-23)32-31(38-28)33-30(35)26-17-19-27(20-18-26)39(36,37)34(21-5-2)22-6-3/h7-9,11-20H,4-6,10,21-22H2,1-3H3,(H,32,33,35)
InChIKeyJQRKNZADRKCYMR-UHFFFAOYSA-N
MW561.77 g/mol
LogP7.49
Rot. Bonds12

About 4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide

4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide (PubChem CID 3346909) has the molecular formula C31H35N3O3S2 and a molecular weight of 561.77 g/mol. Its IUPAC name is 4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
PubChem CID3346909
Molecular FormulaC31H35N3O3S2
Molecular Weight561.77 g/mol
Exact Mass561.21
IUPAC Name4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
SMILESCCCc1sc(NC(=O)c2ccc(S(=O)(=O)N(CCC)CCC)cc2)nc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H35N3O3S2/c1-4-10-28-29(25-15-13-24(14-16-25)23-11-8-7-9-12-23)32-31(38-28)33-30(35)26-17-19-27(20-18-26)39(36,37)34(21-5-2)22-6-3/h7-9,11-20H,4-6,10,21-22H2,1-3H3,(H,32,33,35)
InChIKeyJQRKNZADRKCYMR-UHFFFAOYSA-N
XLogP7.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.77
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide with MolForge

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Related Compounds

4-tert-butyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4061770
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]-4-phenylbenzamide
CID 5176556
4-morpholin-4-ylsulfonyl-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4181565
4-methyl-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 1338053
4-(dibutylsulfamoyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3359761
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,5-diphenyl-1,3-thiazol-2-yl)benzamide
CID 5140057
2-nitro-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide
CID 4285896
4-(dibutylsulfamoyl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3598751
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(dipropylsulfamoyl)benzamide
CID 2320699
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
4-(dipropylsulfamoyl)-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4614245
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-[bis(prop-2-enyl)sulfamoyl]benzamide
CID 4118461

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide (CID 3346909) is 4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide is CCCc1sc(NC(=O)c2ccc(S(=O)(=O)N(CCC)CCC)cc2)nc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is JQRKNZADRKCYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O3S2/c1-4-10-28-29(25-15-13-24(14-16-25)23-11-8-7-9-12-23)32-31(38-28)33-30(35)26-17-19-27(20-18-26)39(36,37)34(21-5-2)22-6-3/h7-9,11-20H,4-6,10,21-22H2,1-3H3,(H,32,33,35).
What are the key properties of 4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide?
4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 561.77 g/mol, XLogP of 7.49, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylsulfamoyl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 3346909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).