N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide

C22H22N2O5S — CID 44517053

IUPACN-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide
SMILESCOc1cc(CCC(=O)Nc2ccc(C(=O)NO)cc2)ccc1OCc1cccs1
InChIInChI=1S/C22H22N2O5S/c1-28-20-13-15(4-10-19(20)29-14-18-3-2-12-30-18)5-11-21(25)23-17-8-6-16(7-9-17)22(26)24-27/h2-4,6-10,12-13,27H,5,11,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyAFDJIPZINRNVSS-UHFFFAOYSA-N
MW426.49 g/mol
LogP4.03
Rot. Bonds9

About N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide

N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide (PubChem CID 44517053) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide
PubChem CID44517053
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide
SMILESCOc1cc(CCC(=O)Nc2ccc(C(=O)NO)cc2)ccc1OCc1cccs1
InChIInChI=1S/C22H22N2O5S/c1-28-20-13-15(4-10-19(20)29-14-18-3-2-12-30-18)5-11-21(25)23-17-8-6-16(7-9-17)22(26)24-27/h2-4,6-10,12-13,27H,5,11,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyAFDJIPZINRNVSS-UHFFFAOYSA-N
XLogP4.03
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide 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-{(1Z)-1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
CID 1946933
N-{(1Z)-1-(3,4-dimethoxyphenyl)-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide
CID 1968406
N-hydroxy-6-(2-(4-methoxyphenyl)acetamido)benzo[b]thiophene-2-carboxamide
CID 11164133
8-[4-(3,6-Dioxo-5-{4-[(thiophene-2-carbonyl)-amino]-benzylidene}-piperazin-2-ylidenemethyl)-phenoxy]-octanoic acid
CID 44266596
(E)-N-(4-(3-(3,4-Dihydroxyphenyl)acryloyl)phenyl)-2-(thiophen-2-yl)acetamide
CID 53322967
3,4,5-trimethoxy-N-[4-(2-thienylcarbonyl)phenyl]benzamide
CID 992725
4-{[3-(4-Ethoxy-3-methoxyphenyl)acryloyl]amino}benzamide
CID 719549
5-Benzyl-2-{[(3,4-diethoxyphenyl)acetyl]amino}-3-thiophenecarboxamide
CID 998792
Thiophene-2-carboxylic acid [3-(3,4-dimethoxy-benzoylamino)-phenyl]-amide
CID 1078727
N-[4-(thiophene-2-carbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1157635
3-({4-[(Thiophen-2-ylcarbonyl)amino]phenyl}carbamoyl)phenyl acetate
CID 1253503
4-({1-[4-(aminocarbonyl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)-2-ethoxyphenyl 2-thiophenecarboxylate
CID 1291284

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide?
The IUPAC name of N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide (CID 44517053) is N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide.
What is the SMILES notation for N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide?
The canonical SMILES for N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide is COc1cc(CCC(=O)Nc2ccc(C(=O)NO)cc2)ccc1OCc1cccs1.
What is the InChIKey of N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide?
The InChIKey is AFDJIPZINRNVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-28-20-13-15(4-10-19(20)29-14-18-3-2-12-30-18)5-11-21(25)23-17-8-6-16(7-9-17)22(26)24-27/h2-4,6-10,12-13,27H,5,11,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide?
N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide has a molecular weight of 426.49 g/mol, XLogP of 4.03, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]propanoylamino]benzamide is sourced from PubChem (CID 44517053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).