N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide

C21H27NO3S — CID 11793751

IUPACN-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide
SMILESCOc1ccc(SC(C)(CCCCc2ccccc2)CC(=O)NO)cc1
InChIInChI=1S/C21H27NO3S/c1-21(16-20(23)22-24,26-19-13-11-18(25-2)12-14-19)15-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14,24H,6-7,10,15-16H2,1-2H3,(H,22,23)
InChIKeySMCSLYNRUWIOEH-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.85
Rot. Bonds10

About N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide

N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide (PubChem CID 11793751) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide
PubChem CID11793751
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC NameN-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide
SMILESCOc1ccc(SC(C)(CCCCc2ccccc2)CC(=O)NO)cc1
InChIInChI=1S/C21H27NO3S/c1-21(16-20(23)22-24,26-19-13-11-18(25-2)12-14-19)15-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14,24H,6-7,10,15-16H2,1-2H3,(H,22,23)
InChIKeySMCSLYNRUWIOEH-UHFFFAOYSA-N
XLogP4.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methylbutanamide
CID 57116563
1-methoxy-4-(3-phenylpropylsulfanyl)benzene;methyl acetate
CID 70396205
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
7-(4-methoxyphenyl)-2,2-dimethylheptanoic acid
CID 139937428
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
2-(4-methoxyphenyl)sulfanyl-7-phenylheptanoic acid
CID 23047903
N-hydroxy-8-(3-methoxyphenyl)octanamide
CID 155529506
2-[2-(4-methoxyphenyl)ethyl]-2-(2-phenylethyl)propanedioic acid
CID 122530743
(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
CID 150202343
3-benzyl-4-(4-methoxyphenyl)-3-methylbutanoic acid
CID 18624156
1-methoxy-4-(2-phenylethylsulfanyl)benzene
CID 15739781

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide?
The IUPAC name of N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide (CID 11793751) is N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide.
What is the SMILES notation for N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide?
The canonical SMILES for N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide is COc1ccc(SC(C)(CCCCc2ccccc2)CC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide?
The InChIKey is SMCSLYNRUWIOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-21(16-20(23)22-24,26-19-13-11-18(25-2)12-14-19)15-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,11-14,24H,6-7,10,15-16H2,1-2H3,(H,22,23).
What are the key properties of N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide?
N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide has a molecular weight of 373.52 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-methoxyphenyl)sulfanyl-3-methyl-7-phenylheptanamide is sourced from PubChem (CID 11793751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).