4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C39H38F3N9O7S4 — CID 161033841

IUPAC4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)n1ccc2ccc(C(F)(F)F)cc21.O=C1CNCCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C26H24F3N5O4S2.C13H14N4O3S2/c1-25(2,34-11-9-17-3-4-18(15-21(17)34)26(27,28)29)23(36)32-12-13-33(22(35)16-32)19-5-7-20(8-6-19)40(37,38)31-24-30-10-14-39-24;18-12-9-14-5-7-17(12)10-1-3-11(4-2-10)22(19,20)16-13-15-6-8-21-13/h3-11,14-15H,12-13,16H2,1-2H3,(H,30,31);1-4,6,8,14H,5,7,9H2,(H,15,16)
InChIKeyTZZIEMBXPRFRAV-UHFFFAOYSA-N
MW930.05 g/mol
LogP5.41
Rot. Bonds10

About 4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 161033841) has the molecular formula C39H38F3N9O7S4 and a molecular weight of 930.05 g/mol. Its IUPAC name is 4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID161033841
Molecular FormulaC39H38F3N9O7S4
Molecular Weight930.05 g/mol
Exact Mass929.17
IUPAC Name4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)n1ccc2ccc(C(F)(F)F)cc21.O=C1CNCCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C26H24F3N5O4S2.C13H14N4O3S2/c1-25(2,34-11-9-17-3-4-18(15-21(17)34)26(27,28)29)23(36)32-12-13-33(22(35)16-32)19-5-7-20(8-6-19)40(37,38)31-24-30-10-14-39-24;18-12-9-14-5-7-17(12)10-1-3-11(4-2-10)22(19,20)16-13-15-6-8-21-13/h3-11,14-15H,12-13,16H2,1-2H3,(H,30,31);1-4,6,8,14H,5,7,9H2,(H,15,16)
InChIKeyTZZIEMBXPRFRAV-UHFFFAOYSA-N
XLogP5.41
TPSA196.01 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500930.05
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide with MolForge

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Related Compounds

(2S)-2-(4-fluoroindol-1-yl)-N-[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]phenyl]propanamide
CID 16049881
4-[4-[2-(7-fluoroindol-1-yl)-2-methylpropanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 24872008
4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 24872126
4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 24872128
4-[(3R)-4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 24872130
4-[4-[2-(5,6-difluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 24872250
4-[4-[(2S)-2-(4-fluoroindol-1-yl)propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 24872376
4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 24872482
4-[4-[2-(6-fluoroindol-1-yl)propanoyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 24873171
4-[2-oxo-4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 24873420
6-[4-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 25206535
(R)-4-(4-(2-(4-Fluoro-1H-indol-1-yl)propanoyl)piperazin-1-yl)-N-(thiazol-2-yl)benzenesulfonamide
CID 53627594

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 161033841) is 4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C)(C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)C1)n1ccc2ccc(C(F)(F)F)cc21.O=C1CNCCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is TZZIEMBXPRFRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O4S2.C13H14N4O3S2/c1-25(2,34-11-9-17-3-4-18(15-21(17)34)26(27,28)29)23(36)32-12-13-33(22(35)16-32)19-5-7-20(8-6-19)40(37,38)31-24-30-10-14-39-24;18-12-9-14-5-7-17(12)10-1-3-11(4-2-10)22(19,20)16-13-15-6-8-21-13/h3-11,14-15H,12-13,16H2,1-2H3,(H,30,31);1-4,6,8,14H,5,7,9H2,(H,15,16).
What are the key properties of 4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 930.05 g/mol, XLogP of 5.41, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-methyl-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-(2-oxopiperazin-1-yl)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 161033841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).