(2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide

C23H21N3O5S — CID 10173762

IUPAC(2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide
SMILESO=C(NO)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H21N3O5S/c27-23(25-28)22(14-16-15-24-21-9-5-4-8-20(16)21)26-32(29,30)19-12-10-18(11-13-19)31-17-6-2-1-3-7-17/h1-13,15,22,24,26,28H,14H2,(H,25,27)/t22-/m1/s1
InChIKeyXUEJMZWXBAMJFN-JOCHJYFZSA-N
MW451.50 g/mol
LogP3.36
Rot. Bonds8

About (2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide

(2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide (PubChem CID 10173762) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide
PubChem CID10173762
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC Name(2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide
SMILESO=C(NO)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H21N3O5S/c27-23(25-28)22(14-16-15-24-21-9-5-4-8-20(16)21)26-32(29,30)19-12-10-18(11-13-19)31-17-6-2-1-3-7-17/h1-13,15,22,24,26,28H,14H2,(H,25,27)/t22-/m1/s1
InChIKeyXUEJMZWXBAMJFN-JOCHJYFZSA-N
XLogP3.36
TPSA120.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 18979112
N-hydroxy-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanamide
CID 11467131
3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 5144045
(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 2211096
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
CID 983564
methyl (2R)-3-(1H-indol-3-yl)-2-[[4-[2-(4-methoxyphenyl)ethynyl]phenyl]sulfonylamino]propanoate
CID 10767330
(2R)-N-hydroxy-2-[(4-phenoxyphenyl)sulfonylamino]-3-pyridin-3-ylpropanamide
CID 10216362
1-[[(2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]-3-(4-methoxyphenyl)urea
CID 155168534
(2R)-3-(1H-indol-3-yl)-2-[[4-(4-iodophenyl)phenyl]sulfonylamino]propanoate
CID 24916932
3-(1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide
CID 142635284
methyl (2R)-2-[(4-ethenylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoate
CID 11794436
(2R)-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-4-methyl-2-[2-oxo-2-[2-(4-phenoxyphenyl)sulfonylhydrazinyl]ethyl]pentanamide
CID 44563494

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide (CID 10173762) is (2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide is O=C(NO)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide?
The InChIKey is XUEJMZWXBAMJFN-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H21N3O5S/c27-23(25-28)22(14-16-15-24-21-9-5-4-8-20(16)21)26-32(29,30)19-12-10-18(11-13-19)31-17-6-2-1-3-7-17/h1-13,15,22,24,26,28H,14H2,(H,25,27)/t22-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide?
(2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide has a molecular weight of 451.50 g/mol, XLogP of 3.36, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 10173762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).