N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide

C29H33Cl2N5O4S2 — CID 143507142

About N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide

N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide (PubChem CID 143507142) has the molecular formula C29H33Cl2N5O4S2 and a molecular weight of 650.65 g/mol. Its IUPAC name is N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide
• PubChem CID: 143507142
• Molecular Formula: C29H33Cl2N5O4S2
• Molecular Weight: 650.65 g/mol
• Exact Mass: 649.14
• IUPAC Name: N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide
• SMILES: CCOc1ccsc1C1=NC(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CCNS(C)(=O)=O)CC1
• InChI: InChI=1S/C29H33Cl2N5O4S2/c1-3-40-24-12-19-41-27(24)28-33-25(20-4-8-22(30)9-5-20)26(21-6-10-23(31)11-7-21)36(28)29(37)35-17-15-34(16-18-35)14-13-32-42(2,38)39/h4-12,19,25-26,32H,3,13-18H2,1-2H3/t25?,26-/m1/s1
• InChIKey: NVPMSTGDKJNDLE-FXDYGKIASA-N
• XLogP: 5.29
• TPSA: 94.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.65
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide?

The IUPAC name of N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide (CID 143507142) is N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide.

What is the SMILES notation for N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide?

The canonical SMILES for N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide is CCOc1ccsc1C1=NC(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CCNS(C)(=O)=O)CC1.

What is the InChIKey of N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide?

The InChIKey is NVPMSTGDKJNDLE-FXDYGKIASA-N. The full InChI is InChI=1S/C29H33Cl2N5O4S2/c1-3-40-24-12-19-41-27(24)28-33-25(20-4-8-22(30)9-5-20)26(21-6-10-23(31)11-7-21)36(28)29(37)35-17-15-34(16-18-35)14-13-32-42(2,38)39/h4-12,19,25-26,32H,3,13-18H2,1-2H3/t25?,26-/m1/s1.

What are the key properties of N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide?

N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide has a molecular weight of 650.65 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[(5R)-4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 143507142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).