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

C24H21N3O2S2 — CID 19299283

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

N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide (PubChem CID 19299283) has the molecular formula C24H21N3O2S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
• PubChem CID: 19299283
• Molecular Formula: C24H21N3O2S2
• Molecular Weight: 447.59 g/mol
• Exact Mass: 447.11
• IUPAC Name: N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
• SMILES: CCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1nccs1
• InChI: InChI=1S/C24H21N3O2S2/c1-2-21(23(29)27-24-25-12-13-30-24)31-20-9-5-8-19(15-20)26-22(28)18-11-10-16-6-3-4-7-17(16)14-18/h3-15,21H,2H2,1H3,(H,26,28)(H,25,27,29)
• InChIKey: XXZUSNVPKYLAKU-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.59
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide (CID 19299283) is N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide.

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

The canonical SMILES for N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide is CCC(Sc1cccc(NC(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1nccs1.

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

The InChIKey is XXZUSNVPKYLAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S2/c1-2-21(23(29)27-24-25-12-13-30-24)31-20-9-5-8-19(15-20)26-22(28)18-11-10-16-6-3-4-7-17(16)14-18/h3-15,21H,2H2,1H3,(H,26,28)(H,25,27,29).

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

N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide has a molecular weight of 447.59 g/mol, XLogP of 6.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 19299283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).