3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid

C26H23Cl3F3N5O6S — CID 16732405

About 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid

3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 16732405) has the molecular formula C26H23Cl3F3N5O6S and a molecular weight of 696.92 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 16732405
• Molecular Formula: C26H23Cl3F3N5O6S
• Molecular Weight: 696.92 g/mol
• Exact Mass: 695.04
• IUPAC Name: 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=NCCO1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H22Cl3N5O4S.C2HF3O2/c1-3-32(24-28-6-7-36-24)11-13-12-37-21(19(13)27)23(34)31-20-16(8-15(26)9-17(20)35-2)22(33)30-18-5-4-14(25)10-29-18;3-2(4,5)1(6)7/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H,31,34)(H,29,30,33);(H,6,7)
• InChIKey: HAOOTKVKZAUPEP-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 142.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.92
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid (CID 16732405) is 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid is CCN(Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl)C1=NCCO1.O=C(O)C(F)(F)F.

What is the InChIKey of 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is HAOOTKVKZAUPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl3N5O4S.C2HF3O2/c1-3-32(24-28-6-7-36-24)11-13-12-37-21(19(13)27)23(34)31-20-16(8-15(26)9-17(20)35-2)22(33)30-18-5-4-14(25)10-29-18;3-2(4,5)1(6)7/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H,31,34)(H,29,30,33);(H,6,7).

What are the key properties of 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?

3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 696.92 g/mol, XLogP of 6.46, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[[4,5-dihydro-1,3-oxazol-2-yl(ethyl)amino]methyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 16732405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).