N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide

C19H21NOS2 — CID 27843051

IUPACN-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cccc(C2SCCCS2)c1
InChIInChI=1S/C19H21NOS2/c1-14-6-2-3-7-15(14)13-18(21)20-17-9-4-8-16(12-17)19-22-10-5-11-23-19/h2-4,6-9,12,19H,5,10-11,13H2,1H3,(H,20,21)
InChIKeyAFFUNTZISCYVJG-UHFFFAOYSA-N
MW343.52 g/mol
LogP5.04
Rot. Bonds4

About N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide

N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide (PubChem CID 27843051) has the molecular formula C19H21NOS2 and a molecular weight of 343.52 g/mol. Its IUPAC name is N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide
PubChem CID27843051
Molecular FormulaC19H21NOS2
Molecular Weight343.52 g/mol
Exact Mass343.11
IUPAC NameN-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cccc(C2SCCCS2)c1
InChIInChI=1S/C19H21NOS2/c1-14-6-2-3-7-15(14)13-18(21)20-17-9-4-8-16(12-17)19-22-10-5-11-23-19/h2-4,6-9,12,19H,5,10-11,13H2,1H3,(H,20,21)
InChIKeyAFFUNTZISCYVJG-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1,3-dithian-2-yl)phenyl]-2-methoxyacetamide
CID 32967833
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 27843163
2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 38797742
N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 27842838
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylbenzamide
CID 27889252
N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylsulfanylacetamide
CID 35368286
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 27842678
N-[3-(1,3-dithian-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 27843194
3-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]butanamide;hydrochloride
CID 119692147
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55498469
3-(3,4-difluorophenyl)-N-[3-(1,3-dithian-2-yl)phenyl]propanamide
CID 46576054

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide (CID 27843051) is N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)Nc1cccc(C2SCCCS2)c1.
What is the InChIKey of N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide?
The InChIKey is AFFUNTZISCYVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NOS2/c1-14-6-2-3-7-15(14)13-18(21)20-17-9-4-8-16(12-17)19-22-10-5-11-23-19/h2-4,6-9,12,19H,5,10-11,13H2,1H3,(H,20,21).
What are the key properties of N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide?
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide has a molecular weight of 343.52 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 27843051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).