N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide

C25H24ClN3O3S — CID 87726911

IUPACN-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(N(C=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H24ClN3O3S/c1-33(31,32)29(17-20-6-2-4-8-24(20)26)22-12-10-21(11-13-22)28(18-30)15-14-19-16-27-25-9-5-3-7-23(19)25/h2-13,16,18,27H,14-15,17H2,1H3
InChIKeySEECJSRWTCDUOP-UHFFFAOYSA-N
MW482.01 g/mol
LogP4.99
Rot. Bonds9

About N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide

N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide (PubChem CID 87726911) has the molecular formula C25H24ClN3O3S and a molecular weight of 482.01 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide
PubChem CID87726911
Molecular FormulaC25H24ClN3O3S
Molecular Weight482.01 g/mol
Exact Mass481.12
IUPAC NameN-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(N(C=O)CCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H24ClN3O3S/c1-33(31,32)29(17-20-6-2-4-8-24(20)26)22-12-10-21(11-13-22)28(18-30)15-14-19-16-27-25-9-5-3-7-23(19)25/h2-13,16,18,27H,14-15,17H2,1H3
InChIKeySEECJSRWTCDUOP-UHFFFAOYSA-N
XLogP4.99
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.01
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide 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-[4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-[N-formyl-2-(methylamino)anilino]ethyl]formamide
CID 87725909
N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)formamide
CID 87729330
2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
CID 113067812
N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-(1-methyl-3-phenylpyrazol-5-yl)formamide
CID 87726763
2-(1H-indol-3-yl)-N-[2-(N-methylsulfonylanilino)ethyl]acetamide
CID 113068448
N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide
CID 147377568
N-(chloromethyl)-2-(1H-indol-3-yl)-N-methylethanamine
CID 115263517
N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100
N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
CID 3953027
2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 1057301
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
2-(1H-indol-3-yl)-N,N-dimethoxyethanamine
CID 87617375

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide?
The IUPAC name of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide (CID 87726911) is N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide is CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(N(C=O)CCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide?
The InChIKey is SEECJSRWTCDUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O3S/c1-33(31,32)29(17-20-6-2-4-8-24(20)26)22-12-10-21(11-13-22)28(18-30)15-14-19-16-27-25-9-5-3-7-23(19)25/h2-13,16,18,27H,14-15,17H2,1H3.
What are the key properties of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide?
N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide has a molecular weight of 482.01 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-N-[2-(1H-indol-3-yl)ethyl]formamide is sourced from PubChem (CID 87726911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).