1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one

C20H29N5O6S — CID 25415439

About 1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one

1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one (PubChem CID 25415439) has the molecular formula C20H29N5O6S and a molecular weight of 467.55 g/mol. Its IUPAC name is 1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one
• PubChem CID: 25415439
• Molecular Formula: C20H29N5O6S
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.18
• IUPAC Name: 1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one
• SMILES: O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)N1CCNC1=O
• InChI: InChI=1S/C20H29N5O6S/c26-19(25-6-5-21-20(25)27)14-23-18-12-16(32(28,29)24-7-10-30-11-8-24)3-4-17(18)22-13-15-2-1-9-31-15/h3-4,12,15,22-23H,1-2,5-11,13-14H2,(H,21,27)/t15-/m0/s1
• InChIKey: QGCKQJRJEGOBJB-HNNXBMFYSA-N
• XLogP: 0.26
• TPSA: 129.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one?

The IUPAC name of 1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one (CID 25415439) is 1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one.

What is the SMILES notation for 1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one?

The canonical SMILES for 1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one is O=C(CNc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)N1CCNC1=O.

What is the InChIKey of 1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one?

The InChIKey is QGCKQJRJEGOBJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N5O6S/c26-19(25-6-5-21-20(25)27)14-23-18-12-16(32(28,29)24-7-10-30-11-8-24)3-4-17(18)22-13-15-2-1-9-31-15/h3-4,12,15,22-23H,1-2,5-11,13-14H2,(H,21,27)/t15-/m0/s1.

What are the key properties of 1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one?

1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one has a molecular weight of 467.55 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[5-morpholin-4-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methylamino]anilino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 25415439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).