N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide

C24H29N3O6S — CID 58359228

About N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide

N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide (PubChem CID 58359228) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide
• PubChem CID: 58359228
• Molecular Formula: C24H29N3O6S
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.18
• IUPAC Name: N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide
• SMILES: Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)O)S(=O)(=O)c2ccco2)n1
• InChI: InChI=1S/C24H29N3O6S/c1-17-8-6-11-20(25-17)24(30)26-21(14-19-9-4-3-5-10-19)22(29)16-27(15-18(2)28)34(31,32)23-12-7-13-33-23/h3-13,18,21-22,28-29H,14-16H2,1-2H3,(H,26,30)/t18?,21-,22+/m0/s1
• InChIKey: VOETUZIOSGHNPS-LFZQMPOYSA-N
• XLogP: 1.76
• TPSA: 132.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide?

The IUPAC name of N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide (CID 58359228) is N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide?

The canonical SMILES for N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN(CC(C)O)S(=O)(=O)c2ccco2)n1.

What is the InChIKey of N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide?

The InChIKey is VOETUZIOSGHNPS-LFZQMPOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-17-8-6-11-20(25-17)24(30)26-21(14-19-9-4-3-5-10-19)22(29)16-27(15-18(2)28)34(31,32)23-12-7-13-33-23/h3-13,18,21-22,28-29H,14-16H2,1-2H3,(H,26,30)/t18?,21-,22+/m0/s1.

What are the key properties of N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide?

N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 1.76, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 58359228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).