N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide

C20H25NO3S — CID 108796389

IUPACN-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCCCCCCOc1ccc(NC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C20H25NO3S/c1-2-3-4-5-14-24-17-10-8-16(9-11-17)21-20(23)13-12-18(22)19-7-6-15-25-19/h6-11,15H,2-5,12-14H2,1H3,(H,21,23)
InChIKeyMGJKBFZTISPEST-UHFFFAOYSA-N
MW359.49 g/mol
LogP5.31
Rot. Bonds11

About N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 108796389) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID108796389
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCCCCCCOc1ccc(NC(=O)CCC(=O)c2cccs2)cc1
InChIInChI=1S/C20H25NO3S/c1-2-3-4-5-14-24-17-10-8-16(9-11-17)21-20(23)13-12-18(22)19-7-6-15-25-19/h6-11,15H,2-5,12-14H2,1H3,(H,21,23)
InChIKeyMGJKBFZTISPEST-UHFFFAOYSA-N
XLogP5.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.49
LogP ≤ 55.31
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-(4-decoxyphenyl)butanamide
CID 143303175
N-[(4-heptoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 4951604
4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
CID 9294245
4-(4-propoxyphenoxy)-1-thiophen-2-ylbutan-1-one
CID 43793680
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-(4-butoxyphenyl)butanamide
CID 4939679
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430
4-pentoxy-1-thiophen-2-ylbutan-1-one
CID 43793850
5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide
CID 110298049
(E)-N-(4-heptoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235244
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
N-[4-(6-oxohexoxy)phenyl]hexanamide
CID 54463406

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 108796389) is N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide is CCCCCCOc1ccc(NC(=O)CCC(=O)c2cccs2)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is MGJKBFZTISPEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-2-3-4-5-14-24-17-10-8-16(9-11-17)21-20(23)13-12-18(22)19-7-6-15-25-19/h6-11,15H,2-5,12-14H2,1H3,(H,21,23).
What are the key properties of N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 359.49 g/mol, XLogP of 5.31, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108796389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).