3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide

C15H21N3O3S — CID 110343313

IUPAC3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCN(C)S(=O)(=O)CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O3S/c1-18(2)22(20,21)10-8-15(19)16-9-7-12-11-17-14-6-4-3-5-13(12)14/h3-6,11,17H,7-10H2,1-2H3,(H,16,19)
InChIKeyKGXSBQXRAZNRKS-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.11
Rot. Bonds7

About 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide

3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide (PubChem CID 110343313) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
PubChem CID110343313
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
SMILESCN(C)S(=O)(=O)CCC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H21N3O3S/c1-18(2)22(20,21)10-8-15(19)16-9-7-12-11-17-14-6-4-3-5-13(12)14/h3-6,11,17H,7-10H2,1-2H3,(H,16,19)
InChIKeyKGXSBQXRAZNRKS-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

3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(dimethylsulfamoyl)-N-(2-naphthalen-1-ylethyl)propanamide
CID 75514638
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342531
3-(4-chlorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 2108565
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 27645506
3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27644763
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
CID 127253981
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide (CID 110343313) is 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide is CN(C)S(=O)(=O)CCC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
The InChIKey is KGXSBQXRAZNRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-18(2)22(20,21)10-8-15(19)16-9-7-12-11-17-14-6-4-3-5-13(12)14/h3-6,11,17H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide?
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide 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 3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide is sourced from PubChem (CID 110343313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).