N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide

C18H27N3O3S — CID 113140591

IUPACN-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide
SMILESCC(C)(C)NC(=O)CCN(CCc1c[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C18H27N3O3S/c1-18(2,3)20-17(22)10-12-21(25(4,23)24)11-9-14-13-19-16-8-6-5-7-15(14)16/h5-8,13,19H,9-12H2,1-4H3,(H,20,22)
InChIKeyIMTQSIJECURNDF-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.28
Rot. Bonds7

About N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide

N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide (PubChem CID 113140591) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide
PubChem CID113140591
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide
SMILESCC(C)(C)NC(=O)CCN(CCc1c[nH]c2ccccc12)S(C)(=O)=O
InChIInChI=1S/C18H27N3O3S/c1-18(2,3)20-17(22)10-12-21(25(4,23)24)11-9-14-13-19-16-8-6-5-7-15(14)16/h5-8,13,19H,9-12H2,1-4H3,(H,20,22)
InChIKeyIMTQSIJECURNDF-UHFFFAOYSA-N
XLogP2.28
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]ethyl]butanamide
CID 113067812
2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113152453
N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002301
N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152451
N-[3-(1H-indol-3-yl)propyl]-N-[4-(methylamino)butyl]methanesulfonamide
CID 147377568
N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide
CID 51222112
N-(4-cyanophenyl)-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152503
N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115884530
3-[3-(1H-indol-3-yl)propanoylamino]-3-methylbutanoic acid
CID 64673297
N-[2-(1H-indol-3-yl)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153236
N-tert-butyl-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139569
N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide?
The IUPAC name of N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide (CID 113140591) is N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide is CC(C)(C)NC(=O)CCN(CCc1c[nH]c2ccccc12)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide?
The InChIKey is IMTQSIJECURNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-18(2,3)20-17(22)10-12-21(25(4,23)24)11-9-14-13-19-16-8-6-5-7-15(14)16/h5-8,13,19H,9-12H2,1-4H3,(H,20,22).
What are the key properties of N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide?
N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide has a molecular weight of 365.50 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113140591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).