(2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide

C22H27ClN4O6S — CID 69360293

About (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide

(2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide (PubChem CID 69360293) has the molecular formula C22H27ClN4O6S and a molecular weight of 511.00 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide.

Molecular Properties

• Compound Name: (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
• PubChem CID: 69360293
• Molecular Formula: C22H27ClN4O6S
• Molecular Weight: 511.00 g/mol
• Exact Mass: 510.13
• IUPAC Name: (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide
• SMILES: C[C@@H](C(=O)N(C)CCO)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O
• InChI: InChI=1S/C22H27ClN4O6S/c1-14(21(30)25(2)9-10-28)26-8-7-19(22(26)31)27(13-20(24)29)34(32,33)18-6-4-15-11-17(23)5-3-16(15)12-18/h3-6,11-12,14,19,28H,7-10,13H2,1-2H3,(H2,24,29)/t14-,19-/m0/s1
• InChIKey: SOJIAWMBAHVNIA-LIRRHRJNSA-N
• XLogP: 0.41
• TPSA: 141.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.00
LogP ≤ 5	0.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide?

The IUPAC name of (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide (CID 69360293) is (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide.

What is the SMILES notation for (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide?

The canonical SMILES for (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide is C[C@@H](C(=O)N(C)CCO)N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O.

What is the InChIKey of (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide?

The InChIKey is SOJIAWMBAHVNIA-LIRRHRJNSA-N. The full InChI is InChI=1S/C22H27ClN4O6S/c1-14(21(30)25(2)9-10-28)26-8-7-19(22(26)31)27(13-20(24)29)34(32,33)18-6-4-15-11-17(23)5-3-16(15)12-18/h3-6,11-12,14,19,28H,7-10,13H2,1-2H3,(H2,24,29)/t14-,19-/m0/s1.

What are the key properties of (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide?

(2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide has a molecular weight of 511.00 g/mol, XLogP of 0.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(3S)-3-[(2-amino-2-oxoethyl)-(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-(2-hydroxyethyl)-N-methylpropanamide is sourced from PubChem (CID 69360293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).