2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide

C19H20FNO3S — CID 142651865

IUPAC2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide
SMILESNC(=O)CC1(c2ccc(-c3ccc(F)cc3)cc2)CCCCS1(=O)=O
InChIInChI=1S/C19H20FNO3S/c20-17-9-5-15(6-10-17)14-3-7-16(8-4-14)19(13-18(21)22)11-1-2-12-25(19,23)24/h3-10H,1-2,11-13H2,(H2,21,22)
InChIKeyIWMQUYIVJDPLCZ-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.16
Rot. Bonds4

About 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide

2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide (PubChem CID 142651865) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide.

Molecular Properties

Compound Name2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide
PubChem CID142651865
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide
SMILESNC(=O)CC1(c2ccc(-c3ccc(F)cc3)cc2)CCCCS1(=O)=O
InChIInChI=1S/C19H20FNO3S/c20-17-9-5-15(6-10-17)14-3-7-16(8-4-14)19(13-18(21)22)11-1-2-12-25(19,23)24/h3-10H,1-2,11-13H2,(H2,21,22)
InChIKeyIWMQUYIVJDPLCZ-UHFFFAOYSA-N
XLogP3.16
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide?
The IUPAC name of 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide (CID 142651865) is 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide.
What is the SMILES notation for 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide?
The canonical SMILES for 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide is NC(=O)CC1(c2ccc(-c3ccc(F)cc3)cc2)CCCCS1(=O)=O.
What is the InChIKey of 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide?
The InChIKey is IWMQUYIVJDPLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c20-17-9-5-15(6-10-17)14-3-7-16(8-4-14)19(13-18(21)22)11-1-2-12-25(19,23)24/h3-10H,1-2,11-13H2,(H2,21,22).
What are the key properties of 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide?
2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide has a molecular weight of 361.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-fluorophenyl)phenyl]-1,1-dioxothian-2-yl]acetamide is sourced from PubChem (CID 142651865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).