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

C25H24N6O4S2 — CID 175485863

IUPACN-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide
SMILESCN(Cc1cn(C(Cc2c[nH]c3ccccc23)C(=O)NO)nn1)S(=O)(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C25H24N6O4S2/c1-30(37(34,35)24-12-11-23(36-24)17-7-3-2-4-8-17)15-19-16-31(29-27-19)22(25(32)28-33)13-18-14-26-21-10-6-5-9-20(18)21/h2-12,14,16,22,26,33H,13,15H2,1H3,(H,28,32)
InChIKeyVTEIOQBDBWANGM-UHFFFAOYSA-N
MW536.64 g/mol
LogP3.60
Rot. Bonds9

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

N-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide (PubChem CID 175485863) has the molecular formula C25H24N6O4S2 and a molecular weight of 536.64 g/mol. Its IUPAC name is N-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide
PubChem CID175485863
Molecular FormulaC25H24N6O4S2
Molecular Weight536.64 g/mol
Exact Mass536.13
IUPAC NameN-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide
SMILESCN(Cc1cn(C(Cc2c[nH]c3ccccc23)C(=O)NO)nn1)S(=O)(=O)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C25H24N6O4S2/c1-30(37(34,35)24-12-11-23(36-24)17-7-3-2-4-8-17)15-19-16-31(29-27-19)22(25(32)28-33)13-18-14-26-21-10-6-5-9-20(18)21/h2-12,14,16,22,26,33H,13,15H2,1H3,(H,28,32)
InChIKeyVTEIOQBDBWANGM-UHFFFAOYSA-N
XLogP3.60
TPSA133.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.64
LogP ≤ 53.60
H-Bond Donors ≤ 53
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

(2R)-2-[[5-[2-(4-butylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]-N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 53327891
(3S,6S,9S,17S,20S,23S)-9-amino-6-(2-amino-2-oxoethyl)-3-[(2S)-butan-2-yl]-20-(1H-indol-3-ylmethyl)-2,5,8,11,19,22-hexaoxo-25-[4-(4-thiophen-2-ylphenyl)triazol-1-yl]-1,4,7,12,18,21-hexazabicyclo[21.3.0]hexacosane-17-carboxamide
CID 168287962
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide
CID 2576749
(2S)-3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 155168420
3-(1H-indol-3-yl)-1-[4-(thiophene-2-sulfonyl)piperazin-1-yl]propan-1-one
CID 2448906
N-[(3S)-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-ylthiophene-2-sulfonamide
CID 44265251
N-[(3S)-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 44265277
N-(2-amino-5-thiophen-2-ylphenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]triazol-4-yl]propanamide
CID 172444060
N-(2-amino-5-thiophen-3-ylphenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]triazol-4-yl]propanamide
CID 172453572
(3S,6S,17S,20S,23S,25S)-6-(2-amino-2-oxo-ethyl)-20-(1H-indol-3-ylmethyl)-3-[(1S)-1-methylpropyl]-2,5,8,11,19,22-hexaoxo-25-[4-[4-(2-thienyl)phenyl]triazol-1-yl]-1,4,7,12,18,21-hexazabicyclo[21.3.0]hexacosane-17-carboxamide
CID 134815592
(3S,6S,9S,17S,20S,23S,25S)-9-amino-6-(2-amino-2-oxo-ethyl)-20-(1H-indol-3-ylmethyl)-3-[(1S)-1-methylpropyl]-2,5,8,11,19,22-hexaoxo-25-[4-[4-(2-thienyl)phenyl]triazol-1-yl]-1,4,7,12,18,21-hexazabicyclo[21.3.0]hexacosane-17-carboxamide
CID 134816611
(2S,4S)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methyl-1,3-thiazole-4-carbonyl)-4-(thiophen-2-ylsulfonylamino)piperidine-2-carboxamide
CID 11882480

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide?
The IUPAC name of N-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide (CID 175485863) is N-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide?
The canonical SMILES for N-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide is CN(Cc1cn(C(Cc2c[nH]c3ccccc23)C(=O)NO)nn1)S(=O)(=O)c1ccc(-c2ccccc2)s1.
What is the InChIKey of N-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide?
The InChIKey is VTEIOQBDBWANGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4S2/c1-30(37(34,35)24-12-11-23(36-24)17-7-3-2-4-8-17)15-19-16-31(29-27-19)22(25(32)28-33)13-18-14-26-21-10-6-5-9-20(18)21/h2-12,14,16,22,26,33H,13,15H2,1H3,(H,28,32).
What are the key properties of N-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide?
N-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide has a molecular weight of 536.64 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(1H-indol-3-yl)-2-[4-[[methyl-(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]propanamide is sourced from PubChem (CID 175485863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).