2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide

C45H40ClN5O6S4 — CID 158886490

About 2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide

2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide (PubChem CID 158886490) has the molecular formula C45H40ClN5O6S4 and a molecular weight of 910.57 g/mol. Its IUPAC name is 2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
• PubChem CID: 158886490
• Molecular Formula: C45H40ClN5O6S4
• Molecular Weight: 910.57 g/mol
• Exact Mass: 909.15
• IUPAC Name: 2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Cc2nccs2)cc1)C(Cl)c1ccccc1.O=C(Nc1ccc(S(=O)(=O)Cc2nccs2)cc1)C(c1ccccc1)N1CCCc2ccccc21
• InChI: InChI=1S/C27H25N3O3S2.C18H15ClN2O3S2/c31-27(29-22-12-14-23(15-13-22)35(32,33)19-25-28-16-18-34-25)26(21-8-2-1-3-9-21)30-17-6-10-20-7-4-5-11-24(20)30;19-17(13-4-2-1-3-5-13)18(22)21-14-6-8-15(9-7-14)26(23,24)12-16-20-10-11-25-16/h1-5,7-9,11-16,18,26H,6,10,17,19H2,(H,29,31);1-11,17H,12H2,(H,21,22)
• InChIKey: JDRTUHYROQIYNV-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 155.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	910.57
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?

The IUPAC name of 2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide (CID 158886490) is 2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide.

What is the SMILES notation for 2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?

The canonical SMILES for 2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide is O=C(Nc1ccc(S(=O)(=O)Cc2nccs2)cc1)C(Cl)c1ccccc1.O=C(Nc1ccc(S(=O)(=O)Cc2nccs2)cc1)C(c1ccccc1)N1CCCc2ccccc21.

What is the InChIKey of 2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?

The InChIKey is JDRTUHYROQIYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3S2.C18H15ClN2O3S2/c31-27(29-22-12-14-23(15-13-22)35(32,33)19-25-28-16-18-34-25)26(21-8-2-1-3-9-21)30-17-6-10-20-7-4-5-11-24(20)30;19-17(13-4-2-1-3-5-13)18(22)21-14-6-8-15(9-7-14)26(23,24)12-16-20-10-11-25-16/h1-5,7-9,11-16,18,26H,6,10,17,19H2,(H,29,31);1-11,17H,12H2,(H,21,22).

What are the key properties of 2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?

2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide has a molecular weight of 910.57 g/mol, XLogP of 9.29, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide;2-(3,4-dihydro-2H-quinolin-1-yl)-2-phenyl-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 158886490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).