2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide

C14H13ClFNO3S — CID 95313005

IUPAC2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(C[S@@](=O)Cc1ccc(F)cc1Cl)NCc1ccco1
InChIInChI=1S/C14H13ClFNO3S/c15-13-6-11(16)4-3-10(13)8-21(19)9-14(18)17-7-12-2-1-5-20-12/h1-6H,7-9H2,(H,17,18)/t21-/m0/s1
InChIKeyDQRFGIJCXVPGDA-NRFANRHFSA-N
MW329.78 g/mol
LogP2.64
Rot. Bonds6

About 2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide

2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 95313005) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is 2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID95313005
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(C[S@@](=O)Cc1ccc(F)cc1Cl)NCc1ccco1
InChIInChI=1S/C14H13ClFNO3S/c15-13-6-11(16)4-3-10(13)8-21(19)9-14(18)17-7-12-2-1-5-20-12/h1-6H,7-9H2,(H,17,18)/t21-/m0/s1
InChIKeyDQRFGIJCXVPGDA-NRFANRHFSA-N
XLogP2.64
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168885
N-butyl-2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]acetamide
CID 94792964
N-(furan-2-ylmethyl)-2-(2-hydroxyethylsulfinyl)acetamide
CID 123117257
3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123109670
3-[1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 46247564
2-(5-fluoro-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 110488713
2-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2161159
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030
2-chloro-4-fluoro-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811663
2-chloro-4-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811664
2-(4-fluorophenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]acetamide
CID 35335065
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide
CID 110298073

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide (CID 95313005) is 2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide is O=C(C[S@@](=O)Cc1ccc(F)cc1Cl)NCc1ccco1.
What is the InChIKey of 2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is DQRFGIJCXVPGDA-NRFANRHFSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/c15-13-6-11(16)4-3-10(13)8-21(19)9-14(18)17-7-12-2-1-5-20-12/h1-6H,7-9H2,(H,17,18)/t21-/m0/s1.
What are the key properties of 2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide?
2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 329.78 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2-chloro-4-fluorophenyl)methylsulfinyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 95313005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).