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

C26H26N4O4S — CID 90869064

IUPACN,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide
SMILESCN(C)C(=O)CN(c1cccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)c1)S(C)(=O)=O
InChIInChI=1S/C26H26N4O4S/c1-29(2)23(31)17-30(35(3,33)34)20-13-9-12-19(16-20)27-25(18-10-5-4-6-11-18)24-21-14-7-8-15-22(21)28-26(24)32/h4-16,24H,17H2,1-3H3,(H,28,32)/b27-25+
InChIKeyPKXGOYVNENCQAN-IMVLJIQESA-N
MW490.59 g/mol
LogP3.40
Rot. Bonds7

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

N,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide (PubChem CID 90869064) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide
PubChem CID90869064
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide
SMILESCN(C)C(=O)CN(c1cccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)c1)S(C)(=O)=O
InChIInChI=1S/C26H26N4O4S/c1-29(2)23(31)17-30(35(3,33)34)20-13-9-12-19(16-20)27-25(18-10-5-4-6-11-18)24-21-14-7-8-15-22(21)28-26(24)32/h4-16,24H,17H2,1-3H3,(H,28,32)/b27-25+
InChIKeyPKXGOYVNENCQAN-IMVLJIQESA-N
XLogP3.40
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.40
H-Bond Donors ≤ 51
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-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide
CID 91424973
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-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide
CID 90911655
3-bromo-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 91482701
N,N-dimethyl-2-[methyl-[4-[[(5-nitro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]sulfonylamino]acetamide
CID 90803954
3-[N-[3-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylic acid
CID 90871892
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(dimethylamino)-2-oxoethyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 90933134
methyl 3-[N-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91195755
methyl 3-[N-[4-[cyanomethyl(methylsulfonyl)amino]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91123802
N-[3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]formamide
CID 90988690
3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]benzenecarboximidamide
CID 91146373

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide?
The IUPAC name of N,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide (CID 90869064) is N,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide is CN(C)C(=O)CN(c1cccc(/N=C(\c2ccccc2)C2C(=O)Nc3ccccc32)c1)S(C)(=O)=O.
What is the InChIKey of N,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide?
The InChIKey is PKXGOYVNENCQAN-IMVLJIQESA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-29(2)23(31)17-30(35(3,33)34)20-13-9-12-19(16-20)27-25(18-10-5-4-6-11-18)24-21-14-7-8-15-22(21)28-26(24)32/h4-16,24H,17H2,1-3H3,(H,28,32)/b27-25+.
What are the key properties of N,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide?
N,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide has a molecular weight of 490.59 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide is sourced from PubChem (CID 90869064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).