N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide

C29H35N3O6S — CID 15551877

IUPACN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(OCCN3CCCCC3)cc2)c2c(C)cccc2C(=O)NO)cc1
InChIInChI=1S/C29H35N3O6S/c1-22-7-6-8-27(29(33)30-34)28(22)32(39(35,36)26-15-13-24(37-2)14-16-26)21-23-9-11-25(12-10-23)38-20-19-31-17-4-3-5-18-31/h6-16,34H,3-5,17-21H2,1-2H3,(H,30,33)
InChIKeyQDBZCMIHMMMYES-UHFFFAOYSA-N
MW553.68 g/mol
LogP4.38
Rot. Bonds11

About N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide

N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide (PubChem CID 15551877) has the molecular formula C29H35N3O6S and a molecular weight of 553.68 g/mol. Its IUPAC name is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide.

Molecular Properties

Compound NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide
PubChem CID15551877
Molecular FormulaC29H35N3O6S
Molecular Weight553.68 g/mol
Exact Mass553.22
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccc(OCCN3CCCCC3)cc2)c2c(C)cccc2C(=O)NO)cc1
InChIInChI=1S/C29H35N3O6S/c1-22-7-6-8-27(29(33)30-34)28(22)32(39(35,36)26-15-13-24(37-2)14-16-26)21-23-9-11-25(12-10-23)38-20-19-31-17-4-3-5-18-31/h6-16,34H,3-5,17-21H2,1-2H3,(H,30,33)
InChIKeyQDBZCMIHMMMYES-UHFFFAOYSA-N
XLogP4.38
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.68
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-(4-methyl-piperazin-1-ylmethyl)-benzamide
CID 17866675
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-hydroxycarbamoylmethoxy-benzamide
CID 44316333
2-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-amino}-N-hydroxy-3-(4-methyl-piperazin-1-ylmethyl)-benzamide
CID 10076090
5-Bromo-2-{[4-(4-diethylamino-but-2-ynyloxy)-benzenesulfonyl]-methyl-amino}-N-hydroxy-3-methyl-benzamide
CID 9915194
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-benzamide
CID 15859211
5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-amino}-3-methyl-benzamide
CID 17866387
N-Hydroxy-2-{(4-methoxy-benzenesulfonyl)-[4-(4-methyl-piperazin-1-yl)-benzyl]-amino}-3-methyl-benzamide
CID 17866459
2-[(4-Diethylamino-but-2-ynyl)-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-methyl-benzamide
CID 21310751
2-[(4-Dimethylaminomethyl-benzyl)-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-methyl-benzamide
CID 21310753
2-[Benzyl-(4-benzyloxy-benzenesulfonyl)-amino]-N-hydroxy-3,5-dimethyl-benzamide
CID 21310756
2-[Benzyl-(4-ethoxy-benzenesulfonyl)-amino]-N-hydroxy-3,5-dimethyl-benzamide
CID 21310757
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-methoxy-benzamide
CID 21310775

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide?
The IUPAC name of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide (CID 15551877) is N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide.
What is the SMILES notation for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide?
The canonical SMILES for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide is COc1ccc(S(=O)(=O)N(Cc2ccc(OCCN3CCCCC3)cc2)c2c(C)cccc2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide?
The InChIKey is QDBZCMIHMMMYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O6S/c1-22-7-6-8-27(29(33)30-34)28(22)32(39(35,36)26-15-13-24(37-2)14-16-26)21-23-9-11-25(12-10-23)38-20-19-31-17-4-3-5-18-31/h6-16,34H,3-5,17-21H2,1-2H3,(H,30,33).
What are the key properties of N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide?
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide has a molecular weight of 553.68 g/mol, XLogP of 4.38, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]amino]-3-methylbenzamide is sourced from PubChem (CID 15551877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).