N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide

C19H18N2O3S2 — CID 7706398

IUPACN-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C2SCCS2)ccc1OCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H18N2O3S2/c1-23-17-10-14(19-25-7-8-26-19)5-6-16(17)24-12-18(22)21-15-4-2-3-13(9-15)11-20/h2-6,9-10,19H,7-8,12H2,1H3,(H,21,22)
InChIKeyBNSPNGSUHAEBET-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.06
Rot. Bonds6

About N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide

N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide (PubChem CID 7706398) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide
PubChem CID7706398
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC NameN-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide
SMILESCOc1cc(C2SCCS2)ccc1OCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H18N2O3S2/c1-23-17-10-14(19-25-7-8-26-19)5-6-16(17)24-12-18(22)21-15-4-2-3-13(9-15)11-20/h2-6,9-10,19H,7-8,12H2,1H3,(H,21,22)
InChIKeyBNSPNGSUHAEBET-UHFFFAOYSA-N
XLogP4.06
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide
CID 7706594
N-(3-cyanophenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 2578049
[2-(3-cyanoanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854141
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide
CID 24581970
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide
CID 86932038
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-methylpropyl)acetamide
CID 7706642
N-(3-cyanophenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78769028
5-[[2-(4-cyano-2-methoxyphenoxy)acetyl]amino]benzene-1,3-dicarboxamide
CID 41070274
2-(4-cyano-2-methoxyphenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 16511665
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9371764
2-(4-cyano-2-methoxyphenoxy)-N-(4-ethylphenyl)acetamide
CID 2492527

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide (CID 7706398) is N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide is COc1cc(C2SCCS2)ccc1OCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide?
The InChIKey is BNSPNGSUHAEBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-23-17-10-14(19-25-7-8-26-19)5-6-16(17)24-12-18(22)21-15-4-2-3-13(9-15)11-20/h2-6,9-10,19H,7-8,12H2,1H3,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide?
N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide has a molecular weight of 386.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 7706398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).