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

C25H25N3O4S — CID 26710792

IUPAC3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C25H25N3O4S/c1-2-32-21-10-12-22(13-11-21)33(30,31)28-20-7-5-6-18(16-20)25(29)26-15-14-19-17-27-24-9-4-3-8-23(19)24/h3-13,16-17,27-28H,2,14-15H2,1H3,(H,26,29)
InChIKeyWZPDLFRNMGVWMM-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.34
Rot. Bonds9

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

3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 26710792) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID26710792
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC Name3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)cc1
InChIInChI=1S/C25H25N3O4S/c1-2-32-21-10-12-22(13-11-21)33(30,31)28-20-7-5-6-18(16-20)25(29)26-15-14-19-17-27-24-9-4-3-8-23(19)24/h3-13,16-17,27-28H,2,14-15H2,1H3,(H,26,29)
InChIKeyWZPDLFRNMGVWMM-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

2-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 29239688
2-[5-[(4-ethoxyphenyl)sulfamoyl]-1H-indol-3-yl]ethylcarbamic acid
CID 19844106
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
N-(2-amino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 9295740
N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27645730
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645056
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430428
1-[[3-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-(2-phenylethyl)thiourea
CID 4847637
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 26710792) is 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide is CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCc3c[nH]c4ccccc34)c2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is WZPDLFRNMGVWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-2-32-21-10-12-22(13-11-21)33(30,31)28-20-7-5-6-18(16-20)25(29)26-15-14-19-17-27-24-9-4-3-8-23(19)24/h3-13,16-17,27-28H,2,14-15H2,1H3,(H,26,29).
What are the key properties of 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide?
3-[(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 3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 26710792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).