3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide

C24H31N3O4S — CID 170563641

IUPAC3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(OC)c(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H31N3O4S/c1-4-14-27(15-5-2)24(28)18-10-11-22(31-3)23(16-18)32(29,30)26-13-12-19-17-25-21-9-7-6-8-20(19)21/h6-11,16-17,25-26H,4-5,12-15H2,1-3H3
InChIKeyKJNCAZBMKNDXNC-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.96
Rot. Bonds11

About 3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide

3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide (PubChem CID 170563641) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide
PubChem CID170563641
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(OC)c(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C24H31N3O4S/c1-4-14-27(15-5-2)24(28)18-10-11-22(31-3)23(16-18)32(29,30)26-13-12-19-17-25-21-9-7-6-8-20(19)21/h6-11,16-17,25-26H,4-5,12-15H2,1-3H3
InChIKeyKJNCAZBMKNDXNC-UHFFFAOYSA-N
XLogP3.96
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1H-indol-3-yl)ethylamino]-N,N-dipropylpyridine-3-carboxamide
CID 109237691
N-[2-(1H-indol-3-yl)ethyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2109484
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
4-tert-butyl-N-[2-[(3,4-dimethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 42772306
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310
N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
N,N-diethyl-3-(ethylsulfamoyl)-4-methoxybenzamide
CID 45373689
N-(1H-indol-3-ylmethyl)-3,4-dimethoxy-N-methylbenzamide
CID 110733002
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
3-(dimethylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzamide
CID 110295882
5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113083673
N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109062575

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide?
The IUPAC name of 3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide (CID 170563641) is 3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide?
The canonical SMILES for 3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(OC)c(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide?
The InChIKey is KJNCAZBMKNDXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-4-14-27(15-5-2)24(28)18-10-11-22(31-3)23(16-18)32(29,30)26-13-12-19-17-25-21-9-7-6-8-20(19)21/h6-11,16-17,25-26H,4-5,12-15H2,1-3H3.
What are the key properties of 3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide?
3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide has a molecular weight of 457.60 g/mol, XLogP of 3.96, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)ethylsulfamoyl]-4-methoxy-N,N-dipropylbenzamide is sourced from PubChem (CID 170563641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).