N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide

C20H20N4O3S — CID 113152503

IUPACN-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C20H20N4O3S/c1-28(26,27)24(11-10-16-13-22-19-5-3-2-4-18(16)19)14-20(25)23-17-8-6-15(12-21)7-9-17/h2-9,13,22H,10-11,14H2,1H3,(H,23,25)
InChIKeyOSUVUZYQPVPNIU-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.48
Rot. Bonds7

About N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide

N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113152503) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
PubChem CID113152503
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C20H20N4O3S/c1-28(26,27)24(11-10-16-13-22-19-5-3-2-4-18(16)19)14-20(25)23-17-8-6-15(12-21)7-9-17/h2-9,13,22H,10-11,14H2,1H3,(H,23,25)
InChIKeyOSUVUZYQPVPNIU-UHFFFAOYSA-N
XLogP2.48
TPSA106.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113152453
N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152451
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 113002030
N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide
CID 113140591
N-[2-(1H-indol-3-yl)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153236
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113165203
N-(3-cyanophenyl)-3-(1H-indol-3-yl)propanamide
CID 2522746
2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
CID 113067812
2-(N-acetyl-4-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113181072
N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
CID 30874167
N'-[2-[(4-cyanophenyl)methylsulfonyl]acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 55788905

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide (CID 113152503) is N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide is CS(=O)(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is OSUVUZYQPVPNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-28(26,27)24(11-10-16-13-22-19-5-3-2-4-18(16)19)14-20(25)23-17-8-6-15(12-21)7-9-17/h2-9,13,22H,10-11,14H2,1H3,(H,23,25).
What are the key properties of N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide?
N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide has a molecular weight of 396.47 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).