N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide

C27H30N4O3S — CID 90911655

IUPACN-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide
SMILESCc1ccc(/C(=N\c2ccc(N(CCN(C)C)S(C)(=O)=O)cc2)C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C27H30N4O3S/c1-19-9-11-20(12-10-19)26(25-23-7-5-6-8-24(23)29-27(25)32)28-21-13-15-22(16-14-21)31(35(4,33)34)18-17-30(2)3/h5-16,25H,17-18H2,1-4H3,(H,29,32)/b28-26+
InChIKeyPYELOTQUWJGRSF-BYCLXTJYSA-N
MW490.63 g/mol
LogP4.18
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide

N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide (PubChem CID 90911655) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide
PubChem CID90911655
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide
SMILESCc1ccc(/C(=N\c2ccc(N(CCN(C)C)S(C)(=O)=O)cc2)C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C27H30N4O3S/c1-19-9-11-20(12-10-19)26(25-23-7-5-6-8-24(23)29-27(25)32)28-21-13-15-22(16-14-21)31(35(4,33)34)18-17-30(2)3/h5-16,25H,17-18H2,1-4H3,(H,29,32)/b28-26+
InChIKeyPYELOTQUWJGRSF-BYCLXTJYSA-N
XLogP4.18
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 54.18
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-[3-[N-[4-[2-(dimethylamino)ethyl-methylsulfonylamino]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindol-5-yl]-N-methylbenzenesulfonamide
CID 91572502
N-methyl-2-[N-methylsulfonyl-4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide
CID 91424973
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
methyl 3-[N-[4-[2-(dimethylamino)ethyl-methylsulfonylamino]phenyl]-C-thiophen-2-ylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 90845539
ethyl 3-[N-[4-[benzenesulfonyl-[2-(dimethylamino)ethyl]amino]phenyl]-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 90941891
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-(2,3-dihydro-1-benzofuran-5-yl)methylidene]amino]phenyl]-N-[2-(dimethylamino)ethyl]methanesulfonamide
CID 90701300
N,N-dimethyl-2-[N-methylsulfonyl-3-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]anilino]acetamide
CID 90869064
3-[N-[4-[(dimethylamino)methyl]phenyl]-C-(3-methylphenyl)carbonimidoyl]-1,3-dihydroindol-2-one
CID 90788576
ethyl 3-[N-(4-methylphenyl)-C-phenylcarbonimidoyl]-2-oxo-1,3-dihydroindole-6-carboxylate
CID 91444861
N-[4-[[1,3-benzodioxol-5-yl-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]-2-(dimethylamino)-N-methylacetamide
CID 90771927
N-methyl-N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-2-piperidin-1-ylacetamide
CID 91142119

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide (CID 90911655) is N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide is Cc1ccc(/C(=N\c2ccc(N(CCN(C)C)S(C)(=O)=O)cc2)C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide?
The InChIKey is PYELOTQUWJGRSF-BYCLXTJYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-19-9-11-20(12-10-19)26(25-23-7-5-6-8-24(23)29-27(25)32)28-21-13-15-22(16-14-21)31(35(4,33)34)18-17-30(2)3/h5-16,25H,17-18H2,1-4H3,(H,29,32)/b28-26+.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide?
N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide has a molecular weight of 490.63 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[4-[[(4-methylphenyl)-(2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 90911655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).