N-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide

C17H16ClNO2S2 — CID 2744126

IUPACN-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO2S2/c18-13-3-5-14(6-4-13)19-16(20)11-21-15-7-1-12(2-8-15)17-22-9-10-23-17/h1-8,17H,9-11H2,(H,19,20)
InChIKeyUTFBTVSPSZZFCR-UHFFFAOYSA-N
MW365.91 g/mol
LogP4.84
Rot. Bonds5

About N-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide

N-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide (PubChem CID 2744126) has the molecular formula C17H16ClNO2S2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
PubChem CID2744126
Molecular FormulaC17H16ClNO2S2
Molecular Weight365.91 g/mol
Exact Mass365.03
IUPAC NameN-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
SMILESO=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO2S2/c18-13-3-5-14(6-4-13)19-16(20)11-21-15-7-1-12(2-8-15)17-22-9-10-23-17/h1-8,17H,9-11H2,(H,19,20)
InChIKeyUTFBTVSPSZZFCR-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide (CID 2744126) is N-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide is O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide?
The InChIKey is UTFBTVSPSZZFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2S2/c18-13-3-5-14(6-4-13)19-16(20)11-21-15-7-1-12(2-8-15)17-22-9-10-23-17/h1-8,17H,9-11H2,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide?
N-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide has a molecular weight of 365.91 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 2744126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).