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

C23H32N2O7S — CID 58359138

IUPACN-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide
SMILESCCC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)O)S(=O)(=O)c1ccco1
InChIInChI=1S/C23H32N2O7S/c1-3-19(27)11-12-22(29)24-20(14-18-8-5-4-6-9-18)21(28)16-25(15-17(2)26)33(30,31)23-10-7-13-32-23/h4-10,13,17,20-21,26,28H,3,11-12,14-16H2,1-2H3,(H,24,29)/t17?,20-,21+/m0/s1
InChIKeyMLOBHIVFKNOBKM-GLTUQPQBSA-N
MW480.58 g/mol
LogP1.50
Rot. Bonds14

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

N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide (PubChem CID 58359138) has the molecular formula C23H32N2O7S and a molecular weight of 480.58 g/mol. Its IUPAC name is N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide
PubChem CID58359138
Molecular FormulaC23H32N2O7S
Molecular Weight480.58 g/mol
Exact Mass480.19
IUPAC NameN-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide
SMILESCCC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)O)S(=O)(=O)c1ccco1
InChIInChI=1S/C23H32N2O7S/c1-3-19(27)11-12-22(29)24-20(14-18-8-5-4-6-9-18)21(28)16-25(15-17(2)26)33(30,31)23-10-7-13-32-23/h4-10,13,17,20-21,26,28H,3,11-12,14-16H2,1-2H3,(H,24,29)/t17?,20-,21+/m0/s1
InChIKeyMLOBHIVFKNOBKM-GLTUQPQBSA-N
XLogP1.50
TPSA137.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S,3R)-3-hydroxy-4-[[(2S)-2-hydroxypropyl]-(3-methylphenyl)sulfonylamino]-1-phenylbutan-2-yl]-4-oxohexanamide
CID 58358970
N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide
CID 58359228
N-[(2S,3R)-3-hydroxy-4-[[(2S)-2-methylbutyl]-(4-methylphenyl)sulfonylamino]-1-phenylbutan-2-yl]-4-oxohexanamide
CID 58359231
2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;2-[(1S)-cyclopent-2-en-1-yl]-N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-[(2R)-2-hydroxypropyl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-6-methylpyridine-2-carboxamide;N-[(2S,3R)-4-[cyclopropylmethyl(furan-2-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide;N-[(2S,3R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl-(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]-4-oxohexanamide
CID 161345398
N-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide
CID 21060799
N-[(2S,3R)-3-hydroxy-4-[[4-(hydroxymethyl)phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]acetamide
CID 58779290
[4-[1-benzofuran-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 141132858
[(2S,3R)-4-[(4-bromophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 67309517
N-[3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]-2-methylpropanamide
CID 70870510
[(2S,3R)-4-[tert-butylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid
CID 22969280
(2S)-2-acetamido-N-[(2S,3R)-3-hydroxy-4-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-3-methylbutanamide
CID 58359226
N-[3-hydroxy-1-phenyl-4-[thiophen-2-ylmethyl-(2,4,5-trifluorophenyl)sulfonylamino]butan-2-yl]propanamide
CID 70317472

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]-4-oxohexanamide?
The IUPAC name of N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide (CID 58359138) is N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide.
What is the SMILES notation for N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide?
The canonical SMILES for N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide is CCC(=O)CCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)O)S(=O)(=O)c1ccco1.
What is the InChIKey of N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide?
The InChIKey is MLOBHIVFKNOBKM-GLTUQPQBSA-N. The full InChI is InChI=1S/C23H32N2O7S/c1-3-19(27)11-12-22(29)24-20(14-18-8-5-4-6-9-18)21(28)16-25(15-17(2)26)33(30,31)23-10-7-13-32-23/h4-10,13,17,20-21,26,28H,3,11-12,14-16H2,1-2H3,(H,24,29)/t17?,20-,21+/m0/s1.
What are the key properties of N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide?
N-[(2S,3R)-4-[furan-2-ylsulfonyl(2-hydroxypropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxohexanamide has a molecular weight of 480.58 g/mol, XLogP of 1.50, 14 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]-4-oxohexanamide is sourced from PubChem (CID 58359138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).