3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide

C23H20Cl3N5O4S — CID 18376885

About 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide

3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 18376885) has the molecular formula C23H20Cl3N5O4S and a molecular weight of 568.87 g/mol. Its IUPAC name is 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide
• PubChem CID: 18376885
• Molecular Formula: C23H20Cl3N5O4S
• Molecular Weight: 568.87 g/mol
• Exact Mass: 567.03
• IUPAC Name: 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide
• SMILES: [H]/N=C1\OCC(C)N1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl
• InChI: InChI=1S/C23H20Cl3N5O4S/c1-11-9-35-23(27)31(11)8-12-10-36-20(18(12)26)22(33)30-19-15(5-14(25)6-16(19)34-2)21(32)29-17-4-3-13(24)7-28-17/h3-7,10-11,27H,8-9H2,1-2H3,(H,30,33)(H,28,29,32)/b27-23-
• InChIKey: KGGIUNDZOZSQHR-VYIQYICTSA-N
• XLogP: 5.77
• TPSA: 116.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.87
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide?

The IUPAC name of 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide (CID 18376885) is 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide.

What is the SMILES notation for 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide?

The canonical SMILES for 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide is [H]/N=C1\OCC(C)N1Cc1csc(C(=O)Nc2c(OC)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)c1Cl.

What is the InChIKey of 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide?

The InChIKey is KGGIUNDZOZSQHR-VYIQYICTSA-N. The full InChI is InChI=1S/C23H20Cl3N5O4S/c1-11-9-35-23(27)31(11)8-12-10-36-20(18(12)26)22(33)30-19-15(5-14(25)6-16(19)34-2)21(32)29-17-4-3-13(24)7-28-17/h3-7,10-11,27H,8-9H2,1-2H3,(H,30,33)(H,28,29,32)/b27-23-.

What are the key properties of 3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide?

3-chloro-N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]-6-methoxyphenyl]-4-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 568.87 g/mol, XLogP of 5.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 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-[(2-imino-4-methyl-1,3-oxazolidin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 18376885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).