N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate

C81H80ClF3N10O10S4 — CID 159228493

About N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate

N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate (PubChem CID 159228493) has the molecular formula C81H80ClF3N10O10S4 and a molecular weight of 1574.31 g/mol. Its IUPAC name is N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate.

Molecular Properties

• Compound Name: N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate
• PubChem CID: 159228493
• Molecular Formula: C81H80ClF3N10O10S4
• Molecular Weight: 1574.31 g/mol
• Exact Mass: 1572.46
• IUPAC Name: N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate
• SMILES: CC(C(=O)Nc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1)n1ccc2ccccc21.CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(NC(=O)CCn3ccc4cc(Cl)ccc43)cc2)cc1.O.O.O=C(COc1ccnc2c(C(F)(F)F)cccc12)Nc1ccc(-c2ccc(SNc3nccs3)cc2)cc1
• InChI: InChI=1S/C27H28ClN3O3S.C27H19F3N4O2S2.C27H29N3O3S.2H2O/c1-27(2,3)30-35(33,34)24-11-6-20(7-12-24)19-4-9-23(10-5-19)29-26(32)15-17-31-16-14-21-18-22(28)8-13-25(21)31;28-27(29,30)22-3-1-2-21-23(12-13-31-25(21)22)36-16-24(35)33-19-8-4-17(5-9-19)18-6-10-20(11-7-18)38-34-26-32-14-15-37-26;1-19(30-18-17-22-7-5-6-8-25(22)30)26(31)28-23-13-9-20(10-14-23)21-11-15-24(16-12-21)34(32,33)29-27(2,3)4;;/h4-14,16,18,30H,15,17H2,1-3H3,(H,29,32);1-15H,16H2,(H,32,34)(H,33,35);5-19,29H,1-4H3,(H,28,31);2*1H2
• InChIKey: UGZVKXLACQDHDL-UHFFFAOYSA-N
• XLogP: 17.52
• TPSA: 299.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 21
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1574.31
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate?

The IUPAC name of N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate (CID 159228493) is N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate.

What is the SMILES notation for N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate?

The canonical SMILES for N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate is CC(C(=O)Nc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1)n1ccc2ccccc21.CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(NC(=O)CCn3ccc4cc(Cl)ccc43)cc2)cc1.O.O.O=C(COc1ccnc2c(C(F)(F)F)cccc12)Nc1ccc(-c2ccc(SNc3nccs3)cc2)cc1.

What is the InChIKey of N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate?

The InChIKey is UGZVKXLACQDHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O3S.C27H19F3N4O2S2.C27H29N3O3S.2H2O/c1-27(2,3)30-35(33,34)24-11-6-20(7-12-24)19-4-9-23(10-5-19)29-26(32)15-17-31-16-14-21-18-22(28)8-13-25(21)31;28-27(29,30)22-3-1-2-21-23(12-13-31-25(21)22)36-16-24(35)33-19-8-4-17(5-9-19)18-6-10-20(11-7-18)38-34-26-32-14-15-37-26;1-19(30-18-17-22-7-5-6-8-25(22)30)26(31)28-23-13-9-20(10-14-23)21-11-15-24(16-12-21)34(32,33)29-27(2,3)4;;/h4-14,16,18,30H,15,17H2,1-3H3,(H,29,32);1-15H,16H2,(H,32,34)(H,33,35);5-19,29H,1-4H3,(H,28,31);2*1H2.

What are the key properties of N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate?

N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate has a molecular weight of 1574.31 g/mol, XLogP of 17.52, 21 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-3-(5-chloroindol-1-yl)propanamide;N-[4-[4-(tert-butylsulfamoyl)phenyl]phenyl]-2-indol-1-ylpropanamide;N-[4-[4-(1,3-thiazol-2-ylamino)sulfanylphenyl]phenyl]-2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetamide;dihydrate is sourced from PubChem (CID 159228493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).