2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide

C19H18N2O2S — CID 24666659

IUPAC2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
SMILESC=C1c2ccccc2C(=O)N1C(C)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C19H18N2O2S/c1-12-16-9-4-5-10-17(16)19(23)21(12)13(2)18(22)20-14-7-6-8-15(11-14)24-3/h4-11,13H,1H2,2-3H3,(H,20,22)
InChIKeyVDHLAFVRSLCZLG-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.86
Rot. Bonds4

About 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide

2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 24666659) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
PubChem CID24666659
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
SMILESC=C1c2ccccc2C(=O)N1C(C)C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C19H18N2O2S/c1-12-16-9-4-5-10-17(16)19(23)21(12)13(2)18(22)20-14-7-6-8-15(11-14)24-3/h4-11,13H,1H2,2-3H3,(H,20,22)
InChIKeyVDHLAFVRSLCZLG-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 31779050
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 38468072
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide
CID 86932995
methyl 4-[[(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]benzoate
CID 31781233
(2R)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 52534515
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 166205999
(2S)-2-(1-methylidene-3-oxoisoindol-2-yl)-N-quinolin-3-ylpropanamide
CID 34031140
methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 2788215

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide (CID 24666659) is 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide is C=C1c2ccccc2C(=O)N1C(C)C(=O)Nc1cccc(SC)c1.
What is the InChIKey of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is VDHLAFVRSLCZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-12-16-9-4-5-10-17(16)19(23)21(12)13(2)18(22)20-14-7-6-8-15(11-14)24-3/h4-11,13H,1H2,2-3H3,(H,20,22).
What are the key properties of 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide?
2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 338.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylidene-3-oxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 24666659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).