5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide

C18H21NO3S — CID 110298049

IUPAC5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide
SMILESCC(C)Oc1ccc(NC(=O)CCCC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21NO3S/c1-13(2)22-15-10-8-14(9-11-15)19-18(21)7-3-5-16(20)17-6-4-12-23-17/h4,6,8-13H,3,5,7H2,1-2H3,(H,19,21)
InChIKeyNCFYYFVIYWZNBU-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.53
Rot. Bonds8

About 5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide

5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide (PubChem CID 110298049) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound Name5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide
PubChem CID110298049
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide
SMILESCC(C)Oc1ccc(NC(=O)CCCC(=O)c2cccs2)cc1
InChIInChI=1S/C18H21NO3S/c1-13(2)22-15-10-8-14(9-11-15)19-18(21)7-3-5-16(20)17-6-4-12-23-17/h4,6,8-13H,3,5,7H2,1-2H3,(H,19,21)
InChIKeyNCFYYFVIYWZNBU-UHFFFAOYSA-N
XLogP4.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
N-[4-(4-propan-2-yloxyanilino)phenyl]thiophene-2-carboxamide
CID 112987822
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
CID 17161001
N-(4-hexoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796389
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110298004
N-(6-bromo-3-pyridinyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110619359
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
(2-oxo-2-thiophen-2-ylethyl) 5-(4-fluoroanilino)-5-oxopentanoate
CID 3158842
4-oxo-N-(4-propylphenyl)-4-thiophen-2-ylbutanamide
CID 9294245
N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110356694

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide?
The IUPAC name of 5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide (CID 110298049) is 5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide.
What is the SMILES notation for 5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide?
The canonical SMILES for 5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide is CC(C)Oc1ccc(NC(=O)CCCC(=O)c2cccs2)cc1.
What is the InChIKey of 5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide?
The InChIKey is NCFYYFVIYWZNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-13(2)22-15-10-8-14(9-11-15)19-18(21)7-3-5-16(20)17-6-4-12-23-17/h4,6,8-13H,3,5,7H2,1-2H3,(H,19,21).
What are the key properties of 5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide?
5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide has a molecular weight of 331.44 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(4-propan-2-yloxyphenyl)-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110298049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).