N-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide

C22H20N2OS2 — CID 10453151

IUPACN-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide
SMILESC=C(c1cccnc1)N(C)C(=O)C(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C22H20N2OS2/c1-17(18-10-9-15-23-16-18)24(2)21(25)22(26-19-11-5-3-6-12-19)27-20-13-7-4-8-14-20/h3-16,22H,1H2,2H3
InChIKeyINGXVFKPPCONKS-UHFFFAOYSA-N
MW392.55 g/mol
LogP5.42
Rot. Bonds7

About N-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide

N-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide (PubChem CID 10453151) has the molecular formula C22H20N2OS2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide.

Molecular Properties

Compound NameN-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide
PubChem CID10453151
Molecular FormulaC22H20N2OS2
Molecular Weight392.55 g/mol
Exact Mass392.10
IUPAC NameN-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide
SMILESC=C(c1cccnc1)N(C)C(=O)C(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C22H20N2OS2/c1-17(18-10-9-15-23-16-18)24(2)21(25)22(26-19-11-5-3-6-12-19)27-20-13-7-4-8-14-20/h3-16,22H,1H2,2H3
InChIKeyINGXVFKPPCONKS-UHFFFAOYSA-N
XLogP5.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N-[(1S)-2,2,2-trichloro-1-phenylsulfanylethyl]pyridine-3-carboxamide
CID 1130366
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
1-(dimethylamino)ethanol;pyridine-3-carboxylic acid
CID 23620885
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
2-(pyridine-3-carbonyl)prop-2-enyl N,N-dimethylcarbamodithioate
CID 138373803
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
(111C)methyl pyridine-3-carboxylate
CID 11309537
N-methylpyridine-3-carboxamide chloride
CID 20976730

Frequently Asked Questions

What is the IUPAC name of N-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide?
The IUPAC name of N-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide (CID 10453151) is N-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide.
What is the SMILES notation for N-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide?
The canonical SMILES for N-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide is C=C(c1cccnc1)N(C)C(=O)C(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of N-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide?
The InChIKey is INGXVFKPPCONKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS2/c1-17(18-10-9-15-23-16-18)24(2)21(25)22(26-19-11-5-3-6-12-19)27-20-13-7-4-8-14-20/h3-16,22H,1H2,2H3.
What are the key properties of N-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide?
N-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide has a molecular weight of 392.55 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,2-bis(phenylsulfanyl)-N-(1-pyridin-3-ylethenyl)acetamide is sourced from PubChem (CID 10453151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).