2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide

C25H25N3O4S — CID 29239688

IUPAC2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H25N3O4S/c1-2-32-19-11-13-20(14-12-19)33(30,31)28-24-10-6-4-8-22(24)25(29)26-16-15-18-17-27-23-9-5-3-7-21(18)23/h3-14,17,27-28H,2,15-16H2,1H3,(H,26,29)
InChIKeyQFUYGTQOTLFWFP-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.34
Rot. Bonds9

About 2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide

2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 29239688) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID29239688
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H25N3O4S/c1-2-32-19-11-13-20(14-12-19)33(30,31)28-24-10-6-4-8-22(24)25(29)26-16-15-18-17-27-23-9-5-3-7-21(18)23/h3-14,17,27-28H,2,15-16H2,1H3,(H,26,29)
InChIKeyQFUYGTQOTLFWFP-UHFFFAOYSA-N
XLogP4.34
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26710792
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
2-[[5-chloro-3-[(3,4-dichlorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 59849946
2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid
CID 19844106
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27645730
3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027444
1-[[2-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-ethylthiourea
CID 2347505
6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-N-(2-phenylethyl)-1H-quinoline-3-carboxamide
CID 3522985
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
2-(4-ethylphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26710642
4-ethoxy-N-[(2S)-1-[2-(1H-indol-3-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 35769791

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 29239688) is 2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is QFUYGTQOTLFWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-2-32-19-11-13-20(14-12-19)33(30,31)28-24-10-6-4-8-22(24)25(29)26-16-15-18-17-27-23-9-5-3-7-21(18)23/h3-14,17,27-28H,2,15-16H2,1H3,(H,26,29).
What are the key properties of 2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 463.56 g/mol, XLogP of 4.34, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 29239688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).