N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide

C25H24N4O4S — CID 91424973

IUPACN-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide
SMILESCNC(=O)CN(c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)cc1)S(C)(=O)=O
InChIInChI=1S/C25H24N4O4S/c1-26-22(30)16-29(34(2,32)33)19-14-12-18(13-15-19)27-24(17-8-4-3-5-9-17)23-20-10-6-7-11-21(20)28-25(23)31/h3-15,23H,16H2,1-2H3,(H,26,30)(H,28,31)/b27-24+
InChIKeyDICDWWNAPSCZFP-SOYKGTTHSA-N
MW476.56 g/mol
LogP3.06
Rot. Bonds7

About N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide

N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide (PubChem CID 91424973) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide
PubChem CID91424973
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide
SMILESCNC(=O)CN(c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)cc1)S(C)(=O)=O
InChIInChI=1S/C25H24N4O4S/c1-26-22(30)16-29(34(2,32)33)19-14-12-18(13-15-19)27-24(17-8-4-3-5-9-17)23-20-10-6-7-11-21(20)28-25(23)31/h3-15,23H,16H2,1-2H3,(H,26,30)(H,28,31)/b27-24+
InChIKeyDICDWWNAPSCZFP-SOYKGTTHSA-N
XLogP3.06
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetic acid
CID 90788794
N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide
CID 90911655
methyl 3-[N-[4-[cyanomethyl(methylsulfonyl)amino]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91123802
N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
CID 91350011
N-[2-(dimethylamino)ethyl]-N-methyl-2-[N-methylsulfonyl-4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide
CID 91030242
N-[3-[N-[4-[2-(dimethylamino)ethyl-methylsulfonylamino]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]-N-methylbenzenesulfonamide
CID 91572502
N-[4-[[(5,6-dimethoxy-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 91287835
N-(3-aminopropyl)-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
CID 57112149
methyl 3-[N-[4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91215946
N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide
CID 91142119
N-methyl-N-[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]methanesulfonamide
CID 90763758
3-[4-[C-(6-bromo-2-oxo-1,3-dihydroindol-3-yl)-N-[4-[2-(dimethylamino)ethyl-methylsulfonylamino]phenyl]carbonimidoyl]phenyl]propanoic acid
CID 90985896

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide?
The IUPAC name of N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide (CID 91424973) is N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide.
What is the SMILES notation for N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide?
The canonical SMILES for N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide is CNC(=O)CN(c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)cc1)S(C)(=O)=O.
What is the InChIKey of N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide?
The InChIKey is DICDWWNAPSCZFP-SOYKGTTHSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-26-22(30)16-29(34(2,32)33)19-14-12-18(13-15-19)27-24(17-8-4-3-5-9-17)23-20-10-6-7-11-21(20)28-25(23)31/h3-15,23H,16H2,1-2H3,(H,26,30)(H,28,31)/b27-24+.
What are the key properties of N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide?
N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide has a molecular weight of 476.56 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide is sourced from PubChem (CID 91424973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).