4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide

C124H149ClN10O20S12 — CID 160618206

About 4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide

4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide (PubChem CID 160618206) has the molecular formula C124H149ClN10O20S12 and a molecular weight of 2519.86 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide
• PubChem CID: 160618206
• Molecular Formula: C124H149ClN10O20S12
• Molecular Weight: 2519.86 g/mol
• Exact Mass: 2516.73
• IUPAC Name: 4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide
• SMILES: C#CCCc1onc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Sc1ccc(C)c(OC)c1.C=CCCCc1snc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Sc1ccc(OC)c(OC)c1.CCCCc1onc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Sc1cccc(OC)c1.CCCCc1snc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Sc1ccc(Cl)c(OC)c1.COc1cc(Sc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)noc2CCCC=O)ccc1C
• InChI: InChI=1S/C26H32N2O4S3.C25H30N2O5S2.C25H28N2O4S2.C24H29ClN2O3S3.C24H30N2O4S2/c1-7-8-9-10-23-24(33-19-13-16-21(31-5)22(17-19)32-6)25(27-34-23)28-35(29,30)20-14-11-18(12-15-20)26(2,3)4;1-17-9-12-19(16-22(17)31-5)33-23-21(8-6-7-15-28)32-26-24(23)27-34(29,30)20-13-10-18(11-14-20)25(2,3)4;1-7-8-9-21-23(32-19-13-10-17(2)22(16-19)30-6)24(26-31-21)27-33(28,29)20-14-11-18(12-15-20)25(3,4)5;1-6-7-8-21-22(31-17-11-14-19(25)20(15-17)30-5)23(26-32-21)27-33(28,29)18-12-9-16(10-13-18)24(2,3)4;1-6-7-11-21-22(31-19-10-8-9-18(16-19)29-5)23(25-30-21)26-32(27,28)20-14-12-17(13-15-20)24(2,3)4/h7,11-17H,1,8-10H2,2-6H3,(H,27,28);9-16H,6-8H2,1-5H3,(H,26,27);1,10-16H,8-9H2,2-6H3,(H,26,27);9-15H,6-8H2,1-5H3,(H,26,27);8-10,12-16H,6-7,11H2,1-5H3,(H,25,26)
• InChIKey: RGJCPLSDLCKETB-UHFFFAOYSA-N
• XLogP: 32.16
• TPSA: 407.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 47
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2519.86
LogP ≤ 5	32.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide?

The IUPAC name of 4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide (CID 160618206) is 4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide.

What is the SMILES notation for 4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide?

The canonical SMILES for 4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide is C#CCCc1onc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Sc1ccc(C)c(OC)c1.C=CCCCc1snc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Sc1ccc(OC)c(OC)c1.CCCCc1onc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Sc1cccc(OC)c1.CCCCc1snc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Sc1ccc(Cl)c(OC)c1.COc1cc(Sc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)noc2CCCC=O)ccc1C.

What is the InChIKey of 4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide?

The InChIKey is RGJCPLSDLCKETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S3.C25H30N2O5S2.C25H28N2O4S2.C24H29ClN2O3S3.C24H30N2O4S2/c1-7-8-9-10-23-24(33-19-13-16-21(31-5)22(17-19)32-6)25(27-34-23)28-35(29,30)20-14-11-18(12-15-20)26(2,3)4;1-17-9-12-19(16-22(17)31-5)33-23-21(8-6-7-15-28)32-26-24(23)27-34(29,30)20-13-10-18(11-14-20)25(2,3)4;1-7-8-9-21-23(32-19-13-10-17(2)22(16-19)30-6)24(26-31-21)27-33(28,29)20-14-11-18(12-15-20)25(3,4)5;1-6-7-8-21-22(31-17-11-14-19(25)20(15-17)30-5)23(26-32-21)27-33(28,29)18-12-9-16(10-13-18)24(2,3)4;1-6-7-11-21-22(31-19-10-8-9-18(16-19)29-5)23(25-30-21)26-32(27,28)20-14-12-17(13-15-20)24(2,3)4/h7,11-17H,1,8-10H2,2-6H3,(H,27,28);9-16H,6-8H2,1-5H3,(H,26,27);1,10-16H,8-9H2,2-6H3,(H,26,27);9-15H,6-8H2,1-5H3,(H,26,27);8-10,12-16H,6-7,11H2,1-5H3,(H,25,26).

What are the key properties of 4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide?

4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide has a molecular weight of 2519.86 g/mol, XLogP of 32.16, 47 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[5-butyl-4-(4-chloro-3-methoxyphenyl)sulfanyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-butyl-4-(3-methoxyphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-but-3-ynyl-4-(3-methoxy-4-methylphenyl)sulfanyl-1,2-oxazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3,4-dimethoxyphenyl)sulfanyl-5-pent-4-enyl-1,2-thiazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[4-(3-methoxy-4-methylphenyl)sulfanyl-5-(4-oxobutyl)-1,2-oxazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 160618206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).