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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Related Compounds

5-N-[1-[3-(3-fluorophenyl)phenyl]ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
CID 11689522
methyl 5-[1-[5-(2-methoxyphenyl)thiophen-2-yl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69292192
N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 76780138
5-N-[(1R)-1-(furan-2-yl)ethyl]-2-N-hydroxythiophene-2,5-dicarboxamide
CID 10401418
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
N-[(2S)-6-methylheptan-2-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 92760464
N-methyl-1-[5-(3-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43287870
N-[1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 67237992
5-[1-[(4-chloro-3-methylphenyl)carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide
CID 58418295
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 80958201
5-[1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-hydroxythiophene-2-carboxamide
CID 53374051

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).