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

C23H21N3O4S — CID 88853335

IUPAC5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)c2[nH]c(C3=CCCS3)cc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H21N3O4S/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/h2-10,12,25,27,30H,1,11,13H2,(H,24,29)(H,26,28)
InChIKeyWOPUIODGCFKVLZ-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.91
Rot. Bonds6

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

5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 88853335) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is 5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
PubChem CID88853335
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC Name5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NO)c1ccc(CNC(=O)c2[nH]c(C3=CCCS3)cc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H21N3O4S/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/h2-10,12,25,27,30H,1,11,13H2,(H,24,29)(H,26,28)
InChIKeyWOPUIODGCFKVLZ-UHFFFAOYSA-N
XLogP3.91
TPSA114.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.91
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'}

Analyze 5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-5-thiophen-2-yl-1H-pyrrole-2-carboxamide
CID 51039070
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
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
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
CID 87544855
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
N-[(4-hydroxyphenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide
CID 114332238
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255
3-(4-methoxyphenyl)-5-phenyl-N-[[4-[(2-prop-2-enylsulfonylphenyl)carbamoyl]phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 174667164
3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115671047

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide (CID 88853335) is 5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide is O=C(NO)c1ccc(CNC(=O)c2[nH]c(C3=CCCS3)cc2-c2ccc(O)cc2)cc1.
What is the InChIKey of 5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WOPUIODGCFKVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/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/h2-10,12,25,27,30H,1,11,13H2,(H,24,29)(H,26,28).
What are the key properties of 5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide?
5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.91, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrothiophen-5-yl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-3-(4-hydroxyphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 88853335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).