N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide

C25H25N3O3S — CID 3550223

IUPACN-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCOc1ccc2c(c1)c(C=NNS(=O)(=O)c1ccc(C)cc1)c(C)n2Cc1ccccc1
InChIInChI=1S/C25H25N3O3S/c1-18-9-12-22(13-10-18)32(29,30)27-26-16-24-19(2)28(17-20-7-5-4-6-8-20)25-14-11-21(31-3)15-23(24)25/h4-16,27H,17H2,1-3H3
InChIKeyCRKDDKAPWVDZSM-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.63
Rot. Bonds7

About N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide

N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 3550223) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID3550223
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCOc1ccc2c(c1)c(C=NNS(=O)(=O)c1ccc(C)cc1)c(C)n2Cc1ccccc1
InChIInChI=1S/C25H25N3O3S/c1-18-9-12-22(13-10-18)32(29,30)27-26-16-24-19(2)28(17-20-7-5-4-6-8-20)25-14-11-21(31-3)15-23(24)25/h4-16,27H,17H2,1-3H3
InChIKeyCRKDDKAPWVDZSM-UHFFFAOYSA-N
XLogP4.63
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-methoxy-1,2-dimethylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 3388041
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 1389645
N-[(1-benzylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 3641081
N-[(Z)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 136717924
1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
CID 99991385
(2S)-3-(1-benzyl-5-methoxy-2-methylindol-3-yl)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]propanoic acid
CID 68814696
N-[(2-ethoxy-5-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 3991034
N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 25169959
N-[[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 4033495
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908544
N-[[2-(2-cyanophenyl)-5-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 163215520

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide (CID 3550223) is N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide is COc1ccc2c(c1)c(C=NNS(=O)(=O)c1ccc(C)cc1)c(C)n2Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is CRKDDKAPWVDZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-18-9-12-22(13-10-18)32(29,30)27-26-16-24-19(2)28(17-20-7-5-4-6-8-20)25-14-11-21(31-3)15-23(24)25/h4-16,27H,17H2,1-3H3.
What are the key properties of N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 447.56 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-methoxy-2-methylindol-3-yl)methylideneamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 3550223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).