N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

C23H23N3O3S — CID 17470412

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCc1c[nH]c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H23N3O3S/c1-26(30(28,29)20-11-10-17-6-2-3-7-18(17)14-20)16-23(27)24-13-12-19-15-25-22-9-5-4-8-21(19)22/h2-11,14-15,25H,12-13,16H2,1H3,(H,24,27)
InChIKeyUMLLSVIDCMJHEC-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.30
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (PubChem CID 17470412) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
PubChem CID17470412
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NCCc1c[nH]c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H23N3O3S/c1-26(30(28,29)20-11-10-17-6-2-3-7-18(17)14-20)16-23(27)24-13-12-19-15-25-22-9-5-4-8-21(19)22/h2-11,14-15,25H,12-13,16H2,1H3,(H,24,27)
InChIKeyUMLLSVIDCMJHEC-UHFFFAOYSA-N
XLogP3.30
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-butan-2-ylbenzotriazol-5-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 50787570
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 110335644
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 27645506
N-ethyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 27276320
4-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645316
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 110343313
2-[butan-2-yl(methylsulfonyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 113148681
N-[2-(1H-indol-3-yl)ethyl]-2-naphthalen-1-ylacetamide
CID 20969018
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 24537823
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (CID 17470412) is N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)NCCc1c[nH]c2ccccc12)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The InChIKey is UMLLSVIDCMJHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-26(30(28,29)20-11-10-17-6-2-3-7-18(17)14-20)16-23(27)24-13-12-19-15-25-22-9-5-4-8-21(19)22/h2-11,14-15,25H,12-13,16H2,1H3,(H,24,27).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide has a molecular weight of 421.52 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 17470412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).