N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide

C15H21N3O3S — CID 113056159

IUPACN-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCC(=O)N(CCNS(C)(=O)=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O3S/c1-12(19)18(10-8-17-22(2,20)21)9-7-13-11-16-15-6-4-3-5-14(13)15/h3-6,11,16-17H,7-10H2,1-2H3
InChIKeyFREJOCXLYPPEHZ-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.11
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide

N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide (PubChem CID 113056159) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
PubChem CID113056159
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
SMILESCC(=O)N(CCNS(C)(=O)=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O3S/c1-12(19)18(10-8-17-22(2,20)21)9-7-13-11-16-15-6-4-3-5-14(13)15/h3-6,11,16-17H,7-10H2,1-2H3
InChIKeyFREJOCXLYPPEHZ-UHFFFAOYSA-N
XLogP1.11
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 11448238
N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100
N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113056143
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113121754
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
CID 113121765
3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115765
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide
CID 113121825
3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113116924
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113053059
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113165203
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 113165241

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide (CID 113056159) is N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide is CC(=O)N(CCNS(C)(=O)=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide?
The InChIKey is FREJOCXLYPPEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-12(19)18(10-8-17-22(2,20)21)9-7-13-11-16-15-6-4-3-5-14(13)15/h3-6,11,16-17H,7-10H2,1-2H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide has a molecular weight of 323.42 g/mol, XLogP of 1.11, 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]-N-[2-(methanesulfonamido)ethyl]acetamide is sourced from PubChem (CID 113056159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).