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

C18H19N3O3S — CID 78813976

IUPAC2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1c[nH]c2ccccc12)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H19N3O3S/c1-12(13-5-4-6-15(9-13)25(19,23)24)21-18(22)10-14-11-20-17-8-3-2-7-16(14)17/h2-9,11-12,20H,10H2,1H3,(H,21,22)(H2,19,23,24)
InChIKeyYAWCYTQCMFMGKU-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.24
Rot. Bonds5

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

2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (PubChem CID 78813976) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
PubChem CID78813976
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
SMILESCC(NC(=O)Cc1c[nH]c2ccccc12)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H19N3O3S/c1-12(13-5-4-6-15(9-13)25(19,23)24)21-18(22)10-14-11-20-17-8-3-2-7-16(14)17/h2-9,11-12,20H,10H2,1H3,(H,21,22)(H2,19,23,24)
InChIKeyYAWCYTQCMFMGKU-UHFFFAOYSA-N
XLogP2.24
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 40810685
3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4794791
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
CID 113209373
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716224
2-(1H-indol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63612745
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate
CID 7678364
2-propoxy-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51102309

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide (CID 78813976) is 2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide is CC(NC(=O)Cc1c[nH]c2ccccc12)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is YAWCYTQCMFMGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12(13-5-4-6-15(9-13)25(19,23)24)21-18(22)10-14-11-20-17-8-3-2-7-16(14)17/h2-9,11-12,20H,10H2,1H3,(H,21,22)(H2,19,23,24).
What are the key properties of 2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide?
2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 78813976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).