N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide

C19H25NO3S — CID 110308820

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)CCCCc2cccs2)cc1
InChIInChI=1S/C19H25NO3S/c1-20(14-18(21)15-9-11-16(23-2)12-10-15)19(22)8-4-3-6-17-7-5-13-24-17/h5,7,9-13,18,21H,3-4,6,8,14H2,1-2H3
InChIKeyNPDZULTWBJBDOF-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.66
Rot. Bonds9

About N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide (PubChem CID 110308820) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide
PubChem CID110308820
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)CCCCc2cccs2)cc1
InChIInChI=1S/C19H25NO3S/c1-20(14-18(21)15-9-11-16(23-2)12-10-15)19(22)8-4-3-6-17-7-5-13-24-17/h5,7,9-13,18,21H,3-4,6,8,14H2,1-2H3
InChIKeyNPDZULTWBJBDOF-UHFFFAOYSA-N
XLogP3.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide
CID 110308829
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 110308817
4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide
CID 110308819
4-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide
CID 110291134
1-(4-methoxyphenyl)-2-thiophen-2-ylethanol
CID 62501005
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 24682495
2-(4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733443
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110629694
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide
CID 110308885
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 63774976
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78791495
1-amino-2-(4-methoxyphenyl)-6-thiophen-2-ylhexan-3-ol
CID 65185856

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide (CID 110308820) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide is COc1ccc(C(O)CN(C)C(=O)CCCCc2cccs2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide?
The InChIKey is NPDZULTWBJBDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-20(14-18(21)15-9-11-16(23-2)12-10-15)19(22)8-4-3-6-17-7-5-13-24-17/h5,7,9-13,18,21H,3-4,6,8,14H2,1-2H3.
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide has a molecular weight of 347.48 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110308820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).