N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide

C22H27N3O4S — CID 5213116

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H27N3O4S/c1-4-25(5-2)30(27,28)17-11-12-21(29-3)20(14-17)24-22(26)13-10-16-15-23-19-9-7-6-8-18(16)19/h6-9,11-12,14-15,23H,4-5,10,13H2,1-3H3,(H,24,26)
InChIKeyGVDJBWZPELEVNB-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.78
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 5213116) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
PubChem CID5213116
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H27N3O4S/c1-4-25(5-2)30(27,28)17-11-12-21(29-3)20(14-17)24-22(26)13-10-16-15-23-19-9-7-6-8-18(16)19/h6-9,11-12,14-15,23H,4-5,10,13H2,1-3H3,(H,24,26)
InChIKeyGVDJBWZPELEVNB-UHFFFAOYSA-N
XLogP3.78
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 5026554
N-(5-acetamido-2-methoxyphenyl)-3-(1H-indol-3-yl)propanamide
CID 42091850
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(naphthalen-1-ylamino)acetamide
CID 24510599
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 4816933
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 19237299
N-ethyl-3-(1H-indol-3-yl)-N-[2-(2-methoxyanilino)-2-oxoethyl]propanamide
CID 26355956
3-(1H-indol-3-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 3972625
N-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109027566
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide (CID 5213116) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is GVDJBWZPELEVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-4-25(5-2)30(27,28)17-11-12-21(29-3)20(14-17)24-22(26)13-10-16-15-23-19-9-7-6-8-18(16)19/h6-9,11-12,14-15,23H,4-5,10,13H2,1-3H3,(H,24,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 429.54 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 5213116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).