3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide

C20H18ClNO4S — CID 9021360

IUPAC3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H18ClNO4S/c21-16-8-6-15(7-9-16)19-11-10-17(26-19)14-22-20(23)12-13-27(24,25)18-4-2-1-3-5-18/h1-11H,12-14H2,(H,22,23)
InChIKeyKXRAKNRNIQCYRI-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.08
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide

3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide (PubChem CID 9021360) has the molecular formula C20H18ClNO4S and a molecular weight of 403.89 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide
PubChem CID9021360
Molecular FormulaC20H18ClNO4S
Molecular Weight403.89 g/mol
Exact Mass403.06
IUPAC Name3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H18ClNO4S/c21-16-8-6-15(7-9-16)19-11-10-17(26-19)14-22-20(23)12-13-27(24,25)18-4-2-1-3-5-18/h1-11H,12-14H2,(H,22,23)
InChIKeyKXRAKNRNIQCYRI-UHFFFAOYSA-N
XLogP4.08
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
2-(2-acetamidophenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 29346676
3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 9258901
[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55366521
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 39948526
3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide
CID 9302482
3-(4-chlorophenyl)sulfonyl-N-[(2S)-2-phenylpropyl]propanamide
CID 9302484
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 9119889
(2S)-2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-phenylacetamide
CID 33475058
2-[4-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
CID 55381607
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 46614912
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-(5-phenylfuran-2-yl)propanamide
CID 16552654

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide (CID 9021360) is 3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)NCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide?
The InChIKey is KXRAKNRNIQCYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4S/c21-16-8-6-15(7-9-16)19-11-10-17(26-19)14-22-20(23)12-13-27(24,25)18-4-2-1-3-5-18/h1-11H,12-14H2,(H,22,23).
What are the key properties of 3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide?
3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide has a molecular weight of 403.89 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]propanamide is sourced from PubChem (CID 9021360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).