2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide

C17H20N2O2S2 — CID 75387877

IUPAC2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CC1CSCCS1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C17H20N2O2S2/c20-17(9-16-13-22-7-8-23-16)19(12-15-4-2-6-21-15)11-14-3-1-5-18-10-14/h1-6,10,16H,7-9,11-13H2
InChIKeyRTFQSLDHSDQUGZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.44
Rot. Bonds6

About 2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide

2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 75387877) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID75387877
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CC1CSCCS1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C17H20N2O2S2/c20-17(9-16-13-22-7-8-23-16)19(12-15-4-2-6-21-15)11-14-3-1-5-18-10-14/h1-6,10,16H,7-9,11-13H2
InChIKeyRTFQSLDHSDQUGZ-UHFFFAOYSA-N
XLogP3.44
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S,4S)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98288464
4-(1,3-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 78843585
N-benzyl-N-(furan-2-ylmethyl)-1,4-dithiane-2-carboxamide
CID 112761172
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99181625
N-(furan-2-ylmethyl)-3-(4-methylpyrazol-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 87045069
N-(furan-2-ylmethyl)-4-methylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 78843578
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 99186712
N-(furan-2-ylmethyl)-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 78843575
(2S,4S)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120640268
2-(2,5-dichlorophenoxy)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 99182792
5,6-dichloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 52558245
N-carbamoyl-2-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide
CID 75519007

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide (CID 75387877) is 2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide is O=C(CC1CSCCS1)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of 2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is RTFQSLDHSDQUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c20-17(9-16-13-22-7-8-23-16)19(12-15-4-2-6-21-15)11-14-3-1-5-18-10-14/h1-6,10,16H,7-9,11-13H2.
What are the key properties of 2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide?
2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 348.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dithian-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 75387877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).