2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide

C19H21ClN2O4S — CID 142096195

IUPAC2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(SN2CCC(Oc3ccc(Cl)cc3)CC2)c1C(=O)NO
InChIInChI=1S/C19H21ClN2O4S/c1-25-16-3-2-4-17(18(16)19(23)21-24)27-22-11-9-15(10-12-22)26-14-7-5-13(20)6-8-14/h2-8,15,24H,9-12H2,1H3,(H,21,23)
InChIKeyMZJFHHQOXQLSMN-UHFFFAOYSA-N
MW408.91 g/mol
LogP4.02
Rot. Bonds6

About 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide

2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide (PubChem CID 142096195) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide
PubChem CID142096195
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide
SMILESCOc1cccc(SN2CCC(Oc3ccc(Cl)cc3)CC2)c1C(=O)NO
InChIInChI=1S/C19H21ClN2O4S/c1-25-16-3-2-4-17(18(16)19(23)21-24)27-22-11-9-15(10-12-22)26-14-7-5-13(20)6-8-14/h2-8,15,24H,9-12H2,1H3,(H,21,23)
InChIKeyMZJFHHQOXQLSMN-UHFFFAOYSA-N
XLogP4.02
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 54.02
H-Bond Donors ≤ 52
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'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxycarbamoyl)-3-[4-(4-methoxyphenoxy)piperidin-1-yl]sulfanylbenzoic acid
CID 142028113
2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfonyl-N-hydroxy-6-methoxybenzamide
CID 20613325
N-hydroxy-2,3-dimethoxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028119
N-hydroxy-2-(methylamino)-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylbenzamide
CID 142028071
2-chloro-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylthiophene-3-carboxamide;chloromethane
CID 142028058
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
2-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methoxybenzaldehyde
CID 88880264
N-hydroxy-2,3-dimethoxy-6-(4-phenylsulfanylpiperidin-1-yl)sulfanylbenzamide
CID 142028138
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
N-hydroxy-6-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanyl-1,3-benzothiazole-7-carboxamide
CID 142028030
(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide?
The IUPAC name of 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide (CID 142096195) is 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide?
The canonical SMILES for 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide is COc1cccc(SN2CCC(Oc3ccc(Cl)cc3)CC2)c1C(=O)NO.
What is the InChIKey of 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide?
The InChIKey is MZJFHHQOXQLSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-25-16-3-2-4-17(18(16)19(23)21-24)27-22-11-9-15(10-12-22)26-14-7-5-13(20)6-8-14/h2-8,15,24H,9-12H2,1H3,(H,21,23).
What are the key properties of 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide?
2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide has a molecular weight of 408.91 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)piperidin-1-yl]sulfanyl-N-hydroxy-6-methoxybenzamide is sourced from PubChem (CID 142096195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).