4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide

C15H25NO3S — CID 109379769

IUPAC4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide
SMILESCC(C)(C)SCCCC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C15H25NO3S/c1-14(2,3)20-10-6-8-13(17)16-11-15(4,18)12-7-5-9-19-12/h5,7,9,18H,6,8,10-11H2,1-4H3,(H,16,17)
InChIKeyCCXJDIPLPANBKE-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.92
Rot. Bonds7

About 4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide

4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide (PubChem CID 109379769) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide.

Molecular Properties

Compound Name4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide
PubChem CID109379769
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide
SMILESCC(C)(C)SCCCC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C15H25NO3S/c1-14(2,3)20-10-6-8-13(17)16-11-15(4,18)12-7-5-9-19-12/h5,7,9,18H,6,8,10-11H2,1-4H3,(H,16,17)
InChIKeyCCXJDIPLPANBKE-UHFFFAOYSA-N
XLogP2.92
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.92
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

3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 111482780
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
CID 111482755
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide
CID 111482708
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100701375
2-cyclopentylsulfanyl-N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 97355222
4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
CID 111482727
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide?
The IUPAC name of 4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide (CID 109379769) is 4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide.
What is the SMILES notation for 4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide?
The canonical SMILES for 4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide is CC(C)(C)SCCCC(=O)NCC(C)(O)c1ccco1.
What is the InChIKey of 4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide?
The InChIKey is CCXJDIPLPANBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-14(2,3)20-10-6-8-13(17)16-11-15(4,18)12-7-5-9-19-12/h5,7,9,18H,6,8,10-11H2,1-4H3,(H,16,17).
What are the key properties of 4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide?
4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide has a molecular weight of 299.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide is sourced from PubChem (CID 109379769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).