N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide

C23H19N3O4S — CID 51039070

IUPACN-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H19N3O4S/c27-17-9-7-15(8-10-17)18-12-19(20-2-1-11-31-20)25-21(18)23(29)24-13-14-3-5-16(6-4-14)22(28)26-30/h1-12,25,27,30H,13H2,(H,24,29)(H,26,28)
InChIKeyLFEKORZSWOREFY-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.16
Rot. Bonds6

About N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide

N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide (PubChem CID 51039070) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide
PubChem CID51039070
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC NameN-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H19N3O4S/c27-17-9-7-15(8-10-17)18-12-19(20-2-1-11-31-20)25-21(18)23(29)24-13-14-3-5-16(6-4-14)22(28)26-30/h1-12,25,27,30H,13H2,(H,24,29)(H,26,28)
InChIKeyLFEKORZSWOREFY-UHFFFAOYSA-N
XLogP4.16
TPSA114.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.16
H-Bond Donors ≤ 55
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-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 88853335
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-phenyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 88850560
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-3-yl-1H-pyrrole-2-carboxamide
CID 67082776
N-benzyl-4-thiophen-2-ylbenzamide
CID 3677900
3-(4-methoxyphenyl)-5-phenyl-N-[[4-(2-sulfanylethylcarbamoyl)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 51038885
4-[3-[3,5-bis(4-fluorophenyl)-1H-pyrrol-2-yl]-3-oxopropyl]-N-hydroxybenzamide
CID 148621746
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
N-[1-(4-hydroxyphenyl)propylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 4298296
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
CID 87544855
2-chloro-N-[(4-thiophen-2-ylphenyl)methyl]acetamide
CID 146105331
2-oxo-N-[[4-(pyridine-3-carbonylamino)phenyl]methyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide
CID 167864711
N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 60511742

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide (CID 51039070) is N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide is O=C(NO)c1ccc(CNC(=O)c2[nH]c(-c3cccs3)cc2-c2ccc(O)cc2)cc1.
What is the InChIKey of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide?
The InChIKey is LFEKORZSWOREFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c27-17-9-7-15(8-10-17)18-12-19(20-2-1-11-31-20)25-21(18)23(29)24-13-14-3-5-16(6-4-14)22(28)26-30/h1-12,25,27,30H,13H2,(H,24,29)(H,26,28).
What are the key properties of N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide?
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 51039070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).