(4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide

C26H26N6O4S2 — CID 174220200

IUPAC(4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide
SMILESO=C(CC[C@H](Cc1c[nH]c2ccccc12)n1nncc1CNS(=O)(=O)c1ccc(-c2ccccc2)s1)NO
InChIInChI=1S/C26H26N6O4S2/c33-25(30-34)12-10-20(14-19-15-27-23-9-5-4-8-22(19)23)32-21(16-28-31-32)17-29-38(35,36)26-13-11-24(37-26)18-6-2-1-3-7-18/h1-9,11,13,15-16,20,27,29,34H,10,12,14,17H2,(H,30,33)/t20-/m1/s1
InChIKeyJPBWCTPQWCGGMR-HXUWFJFHSA-N
MW550.67 g/mol
LogP4.04
Rot. Bonds11

About (4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide

(4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide (PubChem CID 174220200) has the molecular formula C26H26N6O4S2 and a molecular weight of 550.67 g/mol. Its IUPAC name is (4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide.

Molecular Properties

Compound Name(4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide
PubChem CID174220200
Molecular FormulaC26H26N6O4S2
Molecular Weight550.67 g/mol
Exact Mass550.15
IUPAC Name(4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide
SMILESO=C(CC[C@H](Cc1c[nH]c2ccccc12)n1nncc1CNS(=O)(=O)c1ccc(-c2ccccc2)s1)NO
InChIInChI=1S/C26H26N6O4S2/c33-25(30-34)12-10-20(14-19-15-27-23-9-5-4-8-22(19)23)32-21(16-28-31-32)17-29-38(35,36)26-13-11-24(37-26)18-6-2-1-3-7-18/h1-9,11,13,15-16,20,27,29,34H,10,12,14,17H2,(H,30,33)/t20-/m1/s1
InChIKeyJPBWCTPQWCGGMR-HXUWFJFHSA-N
XLogP4.04
TPSA142.00 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.67
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

methyl (2S)-2-[4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]-3-(1H-indol-3-yl)propanoate
CID 176883517
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
(3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide
CID 164530799
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 18979112
5-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-2-(methylamino)-5-oxopentanoic acid
CID 85064207
(3R)-3-[amino-[(Z)-2-amino-3-[(5-phenylthiophen-2-yl)sulfinylamino]prop-1-enyl]amino]-N-hydroxy-4-(1H-indol-3-yl)butanamide
CID 170208233
lithium (2R)-2-amino-5-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
CID 25010567
(2R)-3-(hydroxyamino)-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid
CID 21014124
(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 2211096
ethane;4-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxohexanoic acid
CID 143041569
benzyl 2-[(5-chlorothiophen-2-yl)sulfonylamino]-3-(1H-indol-3-yl)propanoate
CID 6736564

Frequently Asked Questions

What is the IUPAC name of (4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide?
The IUPAC name of (4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide (CID 174220200) is (4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide.
What is the SMILES notation for (4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide?
The canonical SMILES for (4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide is O=C(CC[C@H](Cc1c[nH]c2ccccc12)n1nncc1CNS(=O)(=O)c1ccc(-c2ccccc2)s1)NO.
What is the InChIKey of (4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide?
The InChIKey is JPBWCTPQWCGGMR-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H26N6O4S2/c33-25(30-34)12-10-20(14-19-15-27-23-9-5-4-8-22(19)23)32-21(16-28-31-32)17-29-38(35,36)26-13-11-24(37-26)18-6-2-1-3-7-18/h1-9,11,13,15-16,20,27,29,34H,10,12,14,17H2,(H,30,33)/t20-/m1/s1.
What are the key properties of (4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide?
(4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide has a molecular weight of 550.67 g/mol, XLogP of 4.04, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-hydroxy-5-(1H-indol-3-yl)-4-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]pentanamide is sourced from PubChem (CID 174220200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).