2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide

C19H18N2O3S2 — CID 11494760

IUPAC2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide
SMILESCc1cccc(-c2ccc(C(C)NC(=O)c3ccc(C(=O)NO)s3)s2)c1
InChIInChI=1S/C19H18N2O3S2/c1-11-4-3-5-13(10-11)15-7-6-14(25-15)12(2)20-18(22)16-8-9-17(26-16)19(23)21-24/h3-10,12,24H,1-2H3,(H,20,22)(H,21,23)
InChIKeyDVOCNUXZGXTISK-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.40
Rot. Bonds5

About 2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide

2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide (PubChem CID 11494760) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide
PubChem CID11494760
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide
SMILESCc1cccc(-c2ccc(C(C)NC(=O)c3ccc(C(=O)NO)s3)s2)c1
InChIInChI=1S/C19H18N2O3S2/c1-11-4-3-5-13(10-11)15-7-6-14(25-15)12(2)20-18(22)16-8-9-17(26-16)19(23)21-24/h3-10,12,24H,1-2H3,(H,20,22)(H,21,23)
InChIKeyDVOCNUXZGXTISK-UHFFFAOYSA-N
XLogP4.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.40
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide (CID 11494760) is 2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide is Cc1cccc(-c2ccc(C(C)NC(=O)c3ccc(C(=O)NO)s3)s2)c1.
What is the InChIKey of 2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide?
The InChIKey is DVOCNUXZGXTISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-11-4-3-5-13(10-11)15-7-6-14(25-15)12(2)20-18(22)16-8-9-17(26-16)19(23)21-24/h3-10,12,24H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide?
2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 11494760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).