N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide

C23H26N2O3S — CID 166182822

IUPACN-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c[nH]c2c1
InChIInChI=1S/C23H26N2O3S/c1-16-7-12-21-19(15-24-22(21)13-16)14-23(26)25-29(27,28)20-10-8-18(9-11-20)17-5-3-2-4-6-17/h7-13,15,17,24H,2-6,14H2,1H3,(H,25,26)
InChIKeyRKDRYCVECAIQPD-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.57
Rot. Bonds5

About N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide

N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide (PubChem CID 166182822) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide
PubChem CID166182822
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c[nH]c2c1
InChIInChI=1S/C23H26N2O3S/c1-16-7-12-21-19(15-24-22(21)13-16)14-23(26)25-29(27,28)20-10-8-18(9-11-20)17-5-3-2-4-6-17/h7-13,15,17,24H,2-6,14H2,1H3,(H,25,26)
InChIKeyRKDRYCVECAIQPD-UHFFFAOYSA-N
XLogP4.57
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446276
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
(S)-N-(3-Indol-1-Yl-2-Methyl-Propyl)-4-Sulfamoyl-Benzamide
CID 446277
Bas 05212031
CID 795532
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]propanamide
CID 23646208
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
N-(cyanomethyl)-2-[3-(1H-indol-6-yl)phenyl]-4-methylpentanamide
CID 10893343
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
2-(5-carbamimidoyl-1H-indol-3-yl)-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
CID 15511974
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methylphenyl)benzene-1-sulfonamide
CID 24825381
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzene-1-sulfonamide
CID 24825382

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide (CID 166182822) is N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide is Cc1ccc2c(CC(=O)NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c[nH]c2c1.
What is the InChIKey of N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide?
The InChIKey is RKDRYCVECAIQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16-7-12-21-19(15-24-22(21)13-16)14-23(26)25-29(27,28)20-10-8-18(9-11-20)17-5-3-2-4-6-17/h7-13,15,17,24H,2-6,14H2,1H3,(H,25,26).
What are the key properties of N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide?
N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide has a molecular weight of 410.54 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 166182822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).