N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide

C26H27N3O4S — CID 26689901

IUPACN-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C26H27N3O4S/c1-29(2)34(31,32)21-8-6-7-19(17-21)27-25(30)16-15-23-22-9-4-5-10-24(22)28-26(23)18-11-13-20(33-3)14-12-18/h4-14,17,28H,15-16H2,1-3H3,(H,27,30)
InChIKeyMUBCVCYCUIVOSP-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.67
Rot. Bonds8

About N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide

N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide (PubChem CID 26689901) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
PubChem CID26689901
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C26H27N3O4S/c1-29(2)34(31,32)21-8-6-7-19(17-21)27-25(30)16-15-23-22-9-4-5-10-24(22)28-26(23)18-11-13-20(33-3)14-12-18/h4-14,17,28H,15-16H2,1-3H3,(H,27,30)
InChIKeyMUBCVCYCUIVOSP-UHFFFAOYSA-N
XLogP4.67
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 55676728
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505630
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 27772937
N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 166194187
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 27034289
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylpropyl)propanamide
CID 17463237
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
CID 9076803
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 135888029
2-[4-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 34433425
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(5-methylhexan-2-yl)propanamide
CID 16566418
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083534
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 112798004

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide (CID 26689901) is N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?
The InChIKey is MUBCVCYCUIVOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4S/c1-29(2)34(31,32)21-8-6-7-19(17-21)27-25(30)16-15-23-22-9-4-5-10-24(22)28-26(23)18-11-13-20(33-3)14-12-18/h4-14,17,28H,15-16H2,1-3H3,(H,27,30).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide?
N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide has a molecular weight of 477.59 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide is sourced from PubChem (CID 26689901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).