N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide

C20H19N3O3S — CID 27009969

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H19N3O3S/c1-2-11-23-27(25,26)17-7-5-6-15(13-17)20(24)21-12-10-16-14-22-19-9-4-3-8-18(16)19/h1,3-9,13-14,22-23H,10-12H2,(H,21,24)
InChIKeyOZJWFWRIZLYPMJ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.05
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide

N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide (PubChem CID 27009969) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
PubChem CID27009969
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C20H19N3O3S/c1-2-11-23-27(25,26)17-7-5-6-15(13-17)20(24)21-12-10-16-14-22-19-9-4-3-8-18(16)19/h1,3-9,13-14,22-23H,10-12H2,(H,21,24)
InChIKeyOZJWFWRIZLYPMJ-UHFFFAOYSA-N
XLogP2.05
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109062575
3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645056
3-(cyclopropylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 30867031
N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109065045
N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27645730
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 82179549
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide (CID 27009969) is N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide?
The InChIKey is OZJWFWRIZLYPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-2-11-23-27(25,26)17-7-5-6-15(13-17)20(24)21-12-10-16-14-22-19-9-4-3-8-18(16)19/h1,3-9,13-14,22-23H,10-12H2,(H,21,24).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide?
N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide has a molecular weight of 381.46 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 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-(prop-2-ynylsulfamoyl)benzamide is sourced from PubChem (CID 27009969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).