N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide

C17H23N3O3S — CID 110342531

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)N1CCCC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O3S/c21-17(8-12-24(22,23)20-10-3-4-11-20)18-9-7-14-13-19-16-6-2-1-5-15(14)16/h1-2,5-6,13,19H,3-4,7-12H2,(H,18,21)
InChIKeyRBXXOEMCJSHKPA-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.64
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide

N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide (PubChem CID 110342531) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide
PubChem CID110342531
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide
SMILESO=C(CCS(=O)(=O)N1CCCC1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O3S/c21-17(8-12-24(22,23)20-10-3-4-11-20)18-9-7-14-13-19-16-6-2-1-5-15(14)16/h1-2,5-6,13,19H,3-4,7-12H2,(H,18,21)
InChIKeyRBXXOEMCJSHKPA-UHFFFAOYSA-N
XLogP1.64
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.64
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-(1H-indol-3-yl)ethyl]propanamide
CID 110343313
3-(4-chlorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 2108565
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 29136158
N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342521
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
3-chloro-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 588711
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
3-(benzenesulfonamido)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 27644763
3-(1H-indol-3-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 51186547
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
CID 127253981

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide (CID 110342531) is N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide is O=C(CCS(=O)(=O)N1CCCC1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide?
The InChIKey is RBXXOEMCJSHKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c21-17(8-12-24(22,23)20-10-3-4-11-20)18-9-7-14-13-19-16-6-2-1-5-15(14)16/h1-2,5-6,13,19H,3-4,7-12H2,(H,18,21).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide?
N-[2-(1H-indol-3-yl)ethyl]-3-pyrrolidin-1-ylsulfonylpropanamide has a molecular weight of 349.46 g/mol, XLogP of 1.64, 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]-3-pyrrolidin-1-ylsulfonylpropanamide is sourced from PubChem (CID 110342531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).