2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide

C19H15Cl2N3O3S — CID 18912582

About 2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide

2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 18912582) has the molecular formula C19H15Cl2N3O3S and a molecular weight of 436.32 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
• PubChem CID: 18912582
• Molecular Formula: C19H15Cl2N3O3S
• Molecular Weight: 436.32 g/mol
• Exact Mass: 435.02
• IUPAC Name: 2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
• SMILES: Cc1cc(NC(=O)CSc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)no1
• InChI: InChI=1S/C19H15Cl2N3O3S/c1-11-7-17(24-27-11)23-18(25)10-28-14-4-2-3-13(9-14)22-19(26)15-6-5-12(20)8-16(15)21/h2-9H,10H2,1H3,(H,22,26)(H,23,24,25)
• InChIKey: BXMPPKHQEKVIOQ-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 84.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.32
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide (CID 18912582) is 2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide is Cc1cc(NC(=O)CSc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)no1.

What is the InChIKey of 2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?

The InChIKey is BXMPPKHQEKVIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S/c1-11-7-17(24-27-11)23-18(25)10-28-14-4-2-3-13(9-14)22-19(26)15-6-5-12(20)8-16(15)21/h2-9H,10H2,1H3,(H,22,26)(H,23,24,25).

What are the key properties of 2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?

2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 436.32 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18912582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).