(2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide

C33H36N2O7S — CID 23930721

About (2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23930721) has the molecular formula C33H36N2O7S and a molecular weight of 604.73 g/mol. Its IUPAC name is (2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 23930721
• Molecular Formula: C33H36N2O7S
• Molecular Weight: 604.73 g/mol
• Exact Mass: 604.22
• IUPAC Name: (2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: COc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3ccc4c(c3)Cc3ccccc3-4)C=C(C(=O)NC3CC3)O2)cc1
• InChI: InChI=1S/C33H36N2O7S/c1-40-27-9-11-28(12-10-27)43(38,39)35(14-16-36)15-17-41-32-21-24(20-31(42-32)33(37)34-26-7-8-26)22-6-13-30-25(18-22)19-23-4-2-3-5-29(23)30/h2-6,9-13,18,20,24,26,32,36H,7-8,14-17,19,21H2,1H3,(H,34,37)/t24-,32+/m0/s1
• InChIKey: HPIXCWNBIOAUGG-NRUKRWIHSA-N
• XLogP: 3.96
• TPSA: 114.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.73
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of (2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide (CID 23930721) is (2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for (2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for (2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide is COc1ccc(S(=O)(=O)N(CCO)CCO[C@H]2C[C@@H](c3ccc4c(c3)Cc3ccccc3-4)C=C(C(=O)NC3CC3)O2)cc1.

What is the InChIKey of (2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is HPIXCWNBIOAUGG-NRUKRWIHSA-N. The full InChI is InChI=1S/C33H36N2O7S/c1-40-27-9-11-28(12-10-27)43(38,39)35(14-16-36)15-17-41-32-21-24(20-31(42-32)33(37)34-26-7-8-26)22-6-13-30-25(18-22)19-23-4-2-3-5-29(23)30/h2-6,9-13,18,20,24,26,32,36H,7-8,14-17,19,21H2,1H3,(H,34,37)/t24-,32+/m0/s1.

What are the key properties of (2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide?

(2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 604.73 g/mol, XLogP of 3.96, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4R)-N-cyclopropyl-4-(9H-fluoren-2-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23930721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).