N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C18H23NO5S — CID 90523787

IUPACN-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCCC(O)c2ccco2)cc1
InChIInChI=1S/C18H23NO5S/c1-13(2)25(22,23)15-7-5-14(6-8-15)12-18(21)19-10-9-16(20)17-4-3-11-24-17/h3-8,11,13,16,20H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyKJBNMNOHZDXFLK-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.24
Rot. Bonds8

About N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 90523787) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID90523787
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC NameN-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCCC(O)c2ccco2)cc1
InChIInChI=1S/C18H23NO5S/c1-13(2)25(22,23)15-7-5-14(6-8-15)12-18(21)19-10-9-16(20)17-4-3-11-24-17/h3-8,11,13,16,20H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyKJBNMNOHZDXFLK-UHFFFAOYSA-N
XLogP2.24
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771442
N-[(3R)-3-(furan-2-yl)-3-hydroxypropyl]-2-(4-methoxyphenyl)acetamide
CID 95740998
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90524116
2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
CID 90523672
N-[3-(furan-2-yl)-3-hydroxypropyl]benzamide
CID 90523674
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide
CID 90523706
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbenzamide
CID 71787703
N-[(2-methylphenyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110771426
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 78866038
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277
N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523886
2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771435

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 90523787) is N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NCCC(O)c2ccco2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is KJBNMNOHZDXFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-13(2)25(22,23)15-7-5-14(6-8-15)12-18(21)19-10-9-16(20)17-4-3-11-24-17/h3-8,11,13,16,20H,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 365.45 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-hydroxypropyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 90523787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).