2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid

C19H23NO4S — CID 69220675

IUPAC2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid
SMILESCOc1ccccc1CCN(CCCCC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C19H23NO4S/c1-24-17-9-3-2-7-15(17)11-13-20(19(22)23)12-5-4-8-16(21)18-10-6-14-25-18/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,22,23)
InChIKeySOFZXOZPKZDVBZ-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.33
Rot. Bonds10

About 2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid

2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid (PubChem CID 69220675) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid
PubChem CID69220675
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid
SMILESCOc1ccccc1CCN(CCCCC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C19H23NO4S/c1-24-17-9-3-2-7-15(17)11-13-20(19(22)23)12-5-4-8-16(21)18-10-6-14-25-18/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,22,23)
InChIKeySOFZXOZPKZDVBZ-UHFFFAOYSA-N
XLogP4.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.33
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

2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid
CID 69220427
2-(2-methoxyphenyl)ethyl-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-5-oxopentyl]carbamic acid
CID 69217513
[5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-oxopentyl]-[3-(2-methoxyphenyl)propyl]carbamic acid
CID 69220606
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27757083
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60687710
N-benzyl-N-(2-methoxyethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 78781446
4-[(2-chlorophenyl)methyl-methylamino]-1-thiophen-2-ylbutan-1-one
CID 60692201
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-thiophen-2-ylbutan-1-one
CID 104563857

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid?
The IUPAC name of 2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid (CID 69220675) is 2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid?
The canonical SMILES for 2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid is COc1ccccc1CCN(CCCCC(=O)c1cccs1)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid?
The InChIKey is SOFZXOZPKZDVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-24-17-9-3-2-7-15(17)11-13-20(19(22)23)12-5-4-8-16(21)18-10-6-14-25-18/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,22,23).
What are the key properties of 2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid?
2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid has a molecular weight of 361.46 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid is sourced from PubChem (CID 69220675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).