N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide

C25H23N3O2S2 — CID 18899148

About N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide

N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide (PubChem CID 18899148) has the molecular formula C25H23N3O2S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide.

Molecular Properties

• Compound Name: N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide
• PubChem CID: 18899148
• Molecular Formula: C25H23N3O2S2
• Molecular Weight: 461.61 g/mol
• Exact Mass: 461.12
• IUPAC Name: N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide
• SMILES: CCCC(=O)Nc1cccc(SCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1
• InChI: InChI=1S/C25H23N3O2S2/c1-2-6-23(29)26-20-9-5-10-21(14-20)31-16-24(30)28-25-27-22(15-32-25)19-12-11-17-7-3-4-8-18(17)13-19/h3-5,7-15H,2,6,16H2,1H3,(H,26,29)(H,27,28,30)
• InChIKey: MNJXQDUNYSRJIB-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.61
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide?

The IUPAC name of N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide (CID 18899148) is N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide.

What is the SMILES notation for N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide?

The canonical SMILES for N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide is CCCC(=O)Nc1cccc(SCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1.

What is the InChIKey of N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide?

The InChIKey is MNJXQDUNYSRJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S2/c1-2-6-23(29)26-20-9-5-10-21(14-20)31-16-24(30)28-25-27-22(15-32-25)19-12-11-17-7-3-4-8-18(17)13-19/h3-5,7-15H,2,6,16H2,1H3,(H,26,29)(H,27,28,30).

What are the key properties of N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide?

N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide has a molecular weight of 461.61 g/mol, XLogP of 6.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]butanamide is sourced from PubChem (CID 18899148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).