N-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide

C19H13IN2O5S — CID 25221525

IUPACN-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide
SMILESO=C(Cc1cc(C(=O)c2ccc(I)c([N+](=O)[O-])c2)sc1-c1ccccc1)NO
InChIInChI=1S/C19H13IN2O5S/c20-14-7-6-12(8-15(14)22(26)27)18(24)16-9-13(10-17(23)21-25)19(28-16)11-4-2-1-3-5-11/h1-9,25H,10H2,(H,21,23)
InChIKeyKXTDKSLREYAOTM-UHFFFAOYSA-N
MW508.29 g/mol
LogP4.21
Rot. Bonds6

About N-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide

N-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide (PubChem CID 25221525) has the molecular formula C19H13IN2O5S and a molecular weight of 508.29 g/mol. Its IUPAC name is N-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide
PubChem CID25221525
Molecular FormulaC19H13IN2O5S
Molecular Weight508.29 g/mol
Exact Mass507.96
IUPAC NameN-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide
SMILESO=C(Cc1cc(C(=O)c2ccc(I)c([N+](=O)[O-])c2)sc1-c1ccccc1)NO
InChIInChI=1S/C19H13IN2O5S/c20-14-7-6-12(8-15(14)22(26)27)18(24)16-9-13(10-17(23)21-25)19(28-16)11-4-2-1-3-5-11/h1-9,25H,10H2,(H,21,23)
InChIKeyKXTDKSLREYAOTM-UHFFFAOYSA-N
XLogP4.21
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.29
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide?
The IUPAC name of N-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide (CID 25221525) is N-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide.
What is the SMILES notation for N-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide?
The canonical SMILES for N-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide is O=C(Cc1cc(C(=O)c2ccc(I)c([N+](=O)[O-])c2)sc1-c1ccccc1)NO.
What is the InChIKey of N-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide?
The InChIKey is KXTDKSLREYAOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13IN2O5S/c20-14-7-6-12(8-15(14)22(26)27)18(24)16-9-13(10-17(23)21-25)19(28-16)11-4-2-1-3-5-11/h1-9,25H,10H2,(H,21,23).
What are the key properties of N-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide?
N-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide has a molecular weight of 508.29 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[5-(4-iodo-3-nitrobenzoyl)-2-phenylthiophen-3-yl]acetamide is sourced from PubChem (CID 25221525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).