N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide

C24H25F3N2O4S2 — CID 142976524

IUPACN-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide
SMILESO=C(CCCCCCN(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)S(=O)(=O)c1cccs1)NO
InChIInChI=1S/C24H25F3N2O4S2/c25-24(26,27)20-12-8-18(9-13-20)19-10-14-21(15-11-19)29(35(32,33)23-7-5-17-34-23)16-4-2-1-3-6-22(30)28-31/h5,7-15,17,31H,1-4,6,16H2,(H,28,30)
InChIKeyALLUAGTUDBNCCG-UHFFFAOYSA-N
MW526.60 g/mol
LogP6.09
Rot. Bonds11

About N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide

N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide (PubChem CID 142976524) has the molecular formula C24H25F3N2O4S2 and a molecular weight of 526.60 g/mol. Its IUPAC name is N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide
PubChem CID142976524
Molecular FormulaC24H25F3N2O4S2
Molecular Weight526.60 g/mol
Exact Mass526.12
IUPAC NameN-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide
SMILESO=C(CCCCCCN(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)S(=O)(=O)c1cccs1)NO
InChIInChI=1S/C24H25F3N2O4S2/c25-24(26,27)20-12-8-18(9-13-20)19-10-14-21(15-11-19)29(35(32,33)23-7-5-17-34-23)16-4-2-1-3-6-22(30)28-31/h5,7-15,17,31H,1-4,6,16H2,(H,28,30)
InChIKeyALLUAGTUDBNCCG-UHFFFAOYSA-N
XLogP6.09
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide 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-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide
CID 142976535
7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide
CID 11329486
N-prop-2-enyl-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 100551054
7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide
CID 142976543
methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548946
N-[3-(dimethylamino)propyl]-2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30271860
4-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-(2-phenylpropyl)butanamide
CID 133201998
N-(2-methoxyethyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145280
2-(4-hydroxy-N-thiophen-2-ylsulfonylanilino)acetic acid
CID 60828163
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 30257544
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648
2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 3236370

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide?
The IUPAC name of N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide (CID 142976524) is N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide.
What is the SMILES notation for N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide?
The canonical SMILES for N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide is O=C(CCCCCCN(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)S(=O)(=O)c1cccs1)NO.
What is the InChIKey of N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide?
The InChIKey is ALLUAGTUDBNCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O4S2/c25-24(26,27)20-12-8-18(9-13-20)19-10-14-21(15-11-19)29(35(32,33)23-7-5-17-34-23)16-4-2-1-3-6-22(30)28-31/h5,7-15,17,31H,1-4,6,16H2,(H,28,30).
What are the key properties of N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide?
N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide has a molecular weight of 526.60 g/mol, XLogP of 6.09, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide is sourced from PubChem (CID 142976524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).