3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide

C20H23NO4S — CID 100692740

About 3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide

3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide (PubChem CID 100692740) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide
• PubChem CID: 100692740
• Molecular Formula: C20H23NO4S
• Molecular Weight: 373.47 g/mol
• Exact Mass: 373.13
• IUPAC Name: 3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide
• SMILES: C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)CCS(=O)(=O)c1ccccc1
• InChI: InChI=1S/C20H23NO4S/c1-15(13-16-7-8-19-17(14-16)9-11-25-19)21-20(22)10-12-26(23,24)18-5-3-2-4-6-18/h2-8,14-15H,9-13H2,1H3,(H,21,22)/t15-/m1/s1
• InChIKey: NFGVAFUADBVFII-OAHLLOKOSA-N
• XLogP: 2.53
• TPSA: 72.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.47
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide?

The IUPAC name of 3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide (CID 100692740) is 3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide.

What is the SMILES notation for 3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide?

The canonical SMILES for 3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide is C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)CCS(=O)(=O)c1ccccc1.

What is the InChIKey of 3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide?

The InChIKey is NFGVAFUADBVFII-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-15(13-16-7-8-19-17(14-16)9-11-25-19)21-20(22)10-12-26(23,24)18-5-3-2-4-6-18/h2-8,14-15H,9-13H2,1H3,(H,21,22)/t15-/m1/s1.

What are the key properties of 3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide?

3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide has a molecular weight of 373.47 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide is sourced from PubChem (CID 100692740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).