N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide

C26H22N4O2S2 — CID 5002268

About N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide

N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 5002268) has the molecular formula C26H22N4O2S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide
• PubChem CID: 5002268
• Molecular Formula: C26H22N4O2S2
• Molecular Weight: 486.62 g/mol
• Exact Mass: 486.12
• IUPAC Name: N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide
• SMILES: O=C(CSc1cn(CCNC(=O)c2ccc3ccccc3c2)c2ccccc12)Nc1nccs1
• InChI: InChI=1S/C26H22N4O2S2/c31-24(29-26-28-12-14-33-26)17-34-23-16-30(22-8-4-3-7-21(22)23)13-11-27-25(32)20-10-9-18-5-1-2-6-19(18)15-20/h1-10,12,14-16H,11,13,17H2,(H,27,32)(H,28,29,31)
• InChIKey: GXPCLCDRXBMCJI-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.62
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide?

The IUPAC name of N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide (CID 5002268) is N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide?

The canonical SMILES for N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide is O=C(CSc1cn(CCNC(=O)c2ccc3ccccc3c2)c2ccccc12)Nc1nccs1.

What is the InChIKey of N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide?

The InChIKey is GXPCLCDRXBMCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S2/c31-24(29-26-28-12-14-33-26)17-34-23-16-30(22-8-4-3-7-21(22)23)13-11-27-25(32)20-10-9-18-5-1-2-6-19(18)15-20/h1-10,12,14-16H,11,13,17H2,(H,27,32)(H,28,29,31).

What are the key properties of N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide?

N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 486.62 g/mol, XLogP of 5.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 5002268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).