N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide

C22H24N2O4S2 — CID 92695181

IUPACN-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc(CC(=O)NO)cc2)cc1
InChIInChI=1S/C22H24N2O4S2/c1-16(2)18-7-11-21(12-8-18)30(27,28)24(15-20-4-3-13-29-20)19-9-5-17(6-10-19)14-22(25)23-26/h3-13,16,26H,14-15H2,1-2H3,(H,23,25)
InChIKeyLGTCPQVIEBFDRB-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.31
Rot. Bonds8

About N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide

N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide (PubChem CID 92695181) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide
PubChem CID92695181
Molecular FormulaC22H24N2O4S2
Molecular Weight444.58 g/mol
Exact Mass444.12
IUPAC NameN-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide
SMILESCC(C)c1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc(CC(=O)NO)cc2)cc1
InChIInChI=1S/C22H24N2O4S2/c1-16(2)18-7-11-21(12-8-18)30(27,28)24(15-20-4-3-13-29-20)19-9-5-17(6-10-19)14-22(25)23-26/h3-13,16,26H,14-15H2,1-2H3,(H,23,25)
InChIKeyLGTCPQVIEBFDRB-UHFFFAOYSA-N
XLogP4.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.31
H-Bond Donors ≤ 52
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

sodium 2-[4-[(4-fluorophenyl)methyl-(4-propan-2-ylphenyl)sulfonylamino]phenyl]-N-oxidoacetamide
CID 146061374
N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide
CID 142976535
4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43527794
3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 39050613
(2R)-2-[[4-(dimethylamino)phenyl]methyl-(4-hydroxyphenyl)sulfonylamino]-N-hydroxy-3-thiophen-2-ylpropanamide
CID 170380890
N-[[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]methyl]acetamide
CID 167806334
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 112765398
N-[1-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 18282598
N-(oxan-4-yl)-2-(4-propan-2-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 73167808
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
CID 100787598
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1338503
N-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]phenyl]acetamide
CID 2578354

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide?
The IUPAC name of N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide (CID 92695181) is N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide is CC(C)c1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc(CC(=O)NO)cc2)cc1.
What is the InChIKey of N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide?
The InChIKey is LGTCPQVIEBFDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-16(2)18-7-11-21(12-8-18)30(27,28)24(15-20-4-3-13-29-20)19-9-5-17(6-10-19)14-22(25)23-26/h3-13,16,26H,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide?
N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide has a molecular weight of 444.58 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide is sourced from PubChem (CID 92695181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).