5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide

C17H23N3O4S — CID 50802007

IUPAC5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide
SMILESC=CCn1c(C(=O)NCCOC)cc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C17H23N3O4S/c1-5-9-20-15-7-6-14(25(22,23)19(2)3)11-13(15)12-16(20)17(21)18-8-10-24-4/h5-7,11-12H,1,8-10H2,2-4H3,(H,18,21)
InChIKeyYNCVARHESZGCFP-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.45
Rot. Bonds8

About 5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide

5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide (PubChem CID 50802007) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide
PubChem CID50802007
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide
SMILESC=CCn1c(C(=O)NCCOC)cc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C17H23N3O4S/c1-5-9-20-15-7-6-14(25(22,23)19(2)3)11-13(15)12-16(20)17(21)18-8-10-24-4/h5-7,11-12H,1,8-10H2,2-4H3,(H,18,21)
InChIKeyYNCVARHESZGCFP-UHFFFAOYSA-N
XLogP1.45
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylsulfamoyl)-1-ethyl-N-(2-phenylpropyl)indole-2-carboxamide
CID 50801974
1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide
CID 50801822
N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 50802064
5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide
CID 93076605
3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 24559345
5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 50802022
1-benzyl-5-(dimethylsulfamoyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 50802080
1-benzyl-5-(dimethylsulfamoyl)-N-[(5-methylfuran-2-yl)methyl]indole-2-carboxamide
CID 50801746
5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 42808901
1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide
CID 50801918
N-(2-methoxyethyl)-5-(3-methylbutanoylamino)-1-propylindole-2-carboxamide
CID 90488214
5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83276291

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide (CID 50802007) is 5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide is C=CCn1c(C(=O)NCCOC)cc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide?
The InChIKey is YNCVARHESZGCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-5-9-20-15-7-6-14(25(22,23)19(2)3)11-13(15)12-16(20)17(21)18-8-10-24-4/h5-7,11-12H,1,8-10H2,2-4H3,(H,18,21).
What are the key properties of 5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide?
5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide is sourced from PubChem (CID 50802007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).