4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide

C20H25NO3S — CID 90497055

IUPAC4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NCC(O)(c2cccs2)C2CC2)cc1
InChIInChI=1S/C20H25NO3S/c1-2-3-12-24-17-10-6-15(7-11-17)19(22)21-14-20(23,16-8-9-16)18-5-4-13-25-18/h4-7,10-11,13,16,23H,2-3,8-9,12,14H2,1H3,(H,21,22)
InChIKeyRDMROSXOVDODAF-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.95
Rot. Bonds9

About 4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide

4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide (PubChem CID 90497055) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is 4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
PubChem CID90497055
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC Name4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
SMILESCCCCOc1ccc(C(=O)NCC(O)(c2cccs2)C2CC2)cc1
InChIInChI=1S/C20H25NO3S/c1-2-3-12-24-17-10-6-15(7-11-17)19(22)21-14-20(23,16-8-9-16)18-5-4-13-25-18/h4-7,10-11,13,16,23H,2-3,8-9,12,14H2,1H3,(H,21,22)
InChIKeyRDMROSXOVDODAF-UHFFFAOYSA-N
XLogP3.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
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-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 90497058
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-(diethylsulfamoyl)benzamide
CID 90497084
4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide
CID 121170103
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-methylphenoxy)acetamide
CID 90497022
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-4-propoxybenzenesulfonamide
CID 90497139
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 90496987
3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90496994
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 99873672
4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111442251
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
CID 90496997
4-butoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786044
N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 95982762

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide (CID 90497055) is 4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide is CCCCOc1ccc(C(=O)NCC(O)(c2cccs2)C2CC2)cc1.
What is the InChIKey of 4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide?
The InChIKey is RDMROSXOVDODAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-2-3-12-24-17-10-6-15(7-11-17)19(22)21-14-20(23,16-8-9-16)18-5-4-13-25-18/h4-7,10-11,13,16,23H,2-3,8-9,12,14H2,1H3,(H,21,22).
What are the key properties of 4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide?
4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide has a molecular weight of 359.49 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 90497055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).