2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide

C29H28N2O5S — CID 21310756

IUPAC2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide
SMILESCc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(C(=O)NO)c1
InChIInChI=1S/C29H28N2O5S/c1-21-17-22(2)28(27(18-21)29(32)30-33)31(19-23-9-5-3-6-10-23)37(34,35)26-15-13-25(14-16-26)36-20-24-11-7-4-8-12-24/h3-18,33H,19-20H2,1-2H3,(H,30,32)
InChIKeyLSGQQGGAWBOKIB-UHFFFAOYSA-N
MW516.62 g/mol
LogP5.40
Rot. Bonds9

About 2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide

2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide (PubChem CID 21310756) has the molecular formula C29H28N2O5S and a molecular weight of 516.62 g/mol. Its IUPAC name is 2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide.

Molecular Properties

Compound Name2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide
PubChem CID21310756
Molecular FormulaC29H28N2O5S
Molecular Weight516.62 g/mol
Exact Mass516.17
IUPAC Name2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide
SMILESCc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(C(=O)NO)c1
InChIInChI=1S/C29H28N2O5S/c1-21-17-22(2)28(27(18-21)29(32)30-33)31(19-23-9-5-3-6-10-23)37(34,35)26-15-13-25(14-16-26)36-20-24-11-7-4-8-12-24/h3-18,33H,19-20H2,1-2H3,(H,30,32)
InChIKeyLSGQQGGAWBOKIB-UHFFFAOYSA-N
XLogP5.40
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.62
LogP ≤ 55.40
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

2-[benzyl-(4-but-2-ynoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid
CID 23506785
2-[(4-bromophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-3,5-dimethylbenzoic acid
CID 21310857
benzyl 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 15859210
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 17247458
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51343230
methyl 2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3,5-dimethylbenzoate
CID 70055629
N-[2-[4-[benzyl-[2-(hydroxycarbamoyl)-3,5-dimethylphenyl]sulfamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 101084898
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 126068356
N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30266049
4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-2-methylsulfonylpyrimidine-5-carboxamide
CID 158695318
methyl 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-3-bromobenzoate
CID 57229628
4-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10186703

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide?
The IUPAC name of 2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide (CID 21310756) is 2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide.
What is the SMILES notation for 2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide?
The canonical SMILES for 2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide is Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(C(=O)NO)c1.
What is the InChIKey of 2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide?
The InChIKey is LSGQQGGAWBOKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O5S/c1-21-17-22(2)28(27(18-21)29(32)30-33)31(19-23-9-5-3-6-10-23)37(34,35)26-15-13-25(14-16-26)36-20-24-11-7-4-8-12-24/h3-18,33H,19-20H2,1-2H3,(H,30,32).
What are the key properties of 2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide?
2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide has a molecular weight of 516.62 g/mol, XLogP of 5.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-phenylmethoxyphenyl)sulfonylamino]-N-hydroxy-3,5-dimethylbenzamide is sourced from PubChem (CID 21310756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).