5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide

C26H26ClN3O4S — CID 42808901

IUPAC5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2n1Cc1cccc(C)c1
InChIInChI=1S/C26H26ClN3O4S/c1-18-4-3-5-19(14-18)17-30-24-11-8-22(29-35(32,33)23-9-6-21(27)7-10-23)15-20(24)16-25(30)26(31)28-12-13-34-2/h3-11,14-16,29H,12-13,17H2,1-2H3,(H,28,31)
InChIKeyNKZXUQAJVOZLHW-UHFFFAOYSA-N
MW512.03 g/mol
LogP4.83
Rot. Bonds9

About 5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide

5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide (PubChem CID 42808901) has the molecular formula C26H26ClN3O4S and a molecular weight of 512.03 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
PubChem CID42808901
Molecular FormulaC26H26ClN3O4S
Molecular Weight512.03 g/mol
Exact Mass511.13
IUPAC Name5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2n1Cc1cccc(C)c1
InChIInChI=1S/C26H26ClN3O4S/c1-18-4-3-5-19(14-18)17-30-24-11-8-22(29-35(32,33)23-9-6-21(27)7-10-23)15-20(24)16-25(30)26(31)28-12-13-34-2/h3-11,14-16,29H,12-13,17H2,1-2H3,(H,28,31)
InChIKeyNKZXUQAJVOZLHW-UHFFFAOYSA-N
XLogP4.83
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.03
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83276291
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83287983
5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide
CID 83284031
4-tert-butyl-N-[2-(4-ethylpiperazine-1-carbonyl)-1-[(3-methylphenyl)methyl]indol-5-yl]benzenesulfonamide
CID 83278214
5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 42808893
N-benzyl-1-[(3-methylphenyl)methyl]-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide
CID 83287300
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2-methoxyethyl)thiourea
CID 19678582
2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 42808853
N-[1-benzyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-4-tert-butylbenzenesulfonamide
CID 42808775
2-chloro-N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772238
5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide
CID 91635435
5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide
CID 50802007

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide (CID 42808901) is 5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide is COCCNC(=O)c1cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2n1Cc1cccc(C)c1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
The InChIKey is NKZXUQAJVOZLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O4S/c1-18-4-3-5-19(14-18)17-30-24-11-8-22(29-35(32,33)23-9-6-21(27)7-10-23)15-20(24)16-25(30)26(31)28-12-13-34-2/h3-11,14-16,29H,12-13,17H2,1-2H3,(H,28,31).
What are the key properties of 5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide has a molecular weight of 512.03 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 42808901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).