(2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide

C20H23N3O6S — CID 92665546

About (2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide

(2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide (PubChem CID 92665546) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is (2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide.

Molecular Properties

• Compound Name: (2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide
• PubChem CID: 92665546
• Molecular Formula: C20H23N3O6S
• Molecular Weight: 433.49 g/mol
• Exact Mass: 433.13
• IUPAC Name: (2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide
• SMILES: COc1ccccc1NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(C)C
• InChI: InChI=1S/C20H23N3O6S/c1-12(2)18(19(24)21-14-7-5-6-8-16(14)28-4)22-30(26,27)13-9-10-15-17(11-13)29-20(25)23(15)3/h5-12,18,22H,1-4H3,(H,21,24)/t18-/m0/s1
• InChIKey: CMAWCIYWIRYOKU-SFHVURJKSA-N
• XLogP: 2.08
• TPSA: 119.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.49
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide?

The IUPAC name of (2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide (CID 92665546) is (2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide.

What is the SMILES notation for (2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide?

The canonical SMILES for (2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide is COc1ccccc1NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(C)C.

What is the InChIKey of (2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide?

The InChIKey is CMAWCIYWIRYOKU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-12(2)18(19(24)21-14-7-5-6-8-16(14)28-4)22-30(26,27)13-9-10-15-17(11-13)29-20(25)23(15)3/h5-12,18,22H,1-4H3,(H,21,24)/t18-/m0/s1.

What are the key properties of (2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide?

(2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide has a molecular weight of 433.49 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(2-methoxyphenyl)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanamide is sourced from PubChem (CID 92665546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).