(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C19H17ClN2O2S2 — CID 2563340

About (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 2563340) has the molecular formula C19H17ClN2O2S2 and a molecular weight of 404.94 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
• PubChem CID: 2563340
• Molecular Formula: C19H17ClN2O2S2
• Molecular Weight: 404.94 g/mol
• Exact Mass: 404.04
• IUPAC Name: (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
• SMILES: COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cs1
• InChI: InChI=1S/C19H17ClN2O2S2/c1-12(18(23)21-15-10-14(20)8-9-17(15)24-2)26-19-22-16(11-25-19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,23)/t12-/m0/s1
• InChIKey: NCJZLRXVLVXKLE-LBPRGKRZSA-N
• XLogP: 5.59
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.94
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?

The IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 2563340) is (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

What is the SMILES notation for (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?

The canonical SMILES for (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cs1.

What is the InChIKey of (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?

The InChIKey is NCJZLRXVLVXKLE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17ClN2O2S2/c1-12(18(23)21-15-10-14(20)8-9-17(15)24-2)26-19-22-16(11-25-19)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,23)/t12-/m0/s1.

What are the key properties of (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?

(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 404.94 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 2563340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).