3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide

C23H26N4O3S — CID 26856264

IUPAC3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1
InChIInChI=1S/C23H26N4O3S/c28-23(13-12-17-16-25-21-10-4-3-9-20(17)21)26-18-7-6-8-19(15-18)31(29,30)27-22-11-2-1-5-14-24-22/h3-4,6-10,15-16,25H,1-2,5,11-14H2,(H,24,27)(H,26,28)
InChIKeyDIRNQLHOQXSYDI-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.99
Rot. Bonds6

About 3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide

3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide (PubChem CID 26856264) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
PubChem CID26856264
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC Name3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1
InChIInChI=1S/C23H26N4O3S/c28-23(13-12-17-16-25-21-10-4-3-9-20(17)21)26-18-7-6-8-19(15-18)31(29,30)27-22-11-2-1-5-14-24-22/h3-4,6-10,15-16,25H,1-2,5,11-14H2,(H,24,27)(H,26,28)
InChIKeyDIRNQLHOQXSYDI-UHFFFAOYSA-N
XLogP3.99
TPSA103.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]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

3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
3-[5-(2-fluorophenyl)furan-2-yl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 24505922
2-[[4-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 4676072
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 4964161
ethyl 4-oxo-4-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]butanoate
CID 9086897
[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl] 3-(2-fluorophenyl)propanoate
CID 55368181
4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 7926214
2-(2-nitrophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 18230237
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
CID 7732917
2-[(2-phenoxyacetyl)amino]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 24645838
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4833881
N-methyl-N-[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl]benzamide
CID 55573199

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide (CID 26856264) is 3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide?
The InChIKey is DIRNQLHOQXSYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c28-23(13-12-17-16-25-21-10-4-3-9-20(17)21)26-18-7-6-8-19(15-18)31(29,30)27-22-11-2-1-5-14-24-22/h3-4,6-10,15-16,25H,1-2,5,11-14H2,(H,24,27)(H,26,28).
What are the key properties of 3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide?
3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide has a molecular weight of 438.55 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 26856264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).