1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide

C26H34N4O3S — CID 50801822

IUPAC1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCCCN1CCCCC1)n2Cc1ccccc1
InChIInChI=1S/C26H34N4O3S/c1-28(2)34(32,33)23-12-13-24-22(18-23)19-25(30(24)20-21-10-5-3-6-11-21)26(31)27-14-9-17-29-15-7-4-8-16-29/h3,5-6,10-13,18-19H,4,7-9,14-17,20H2,1-2H3,(H,27,31)
InChIKeyQRKVICZKHWQZTK-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.55
Rot. Bonds9

About 1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide

1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide (PubChem CID 50801822) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is 1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide
PubChem CID50801822
Molecular FormulaC26H34N4O3S
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC Name1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCCCN1CCCCC1)n2Cc1ccccc1
InChIInChI=1S/C26H34N4O3S/c1-28(2)34(32,33)23-12-13-24-22(18-23)19-25(30(24)20-21-10-5-3-6-11-21)26(31)27-14-9-17-29-15-7-4-8-16-29/h3,5-6,10-13,18-19H,4,7-9,14-17,20H2,1-2H3,(H,27,31)
InChIKeyQRKVICZKHWQZTK-UHFFFAOYSA-N
XLogP3.55
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylsulfamoyl)-1-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]indole-2-carboxamide
CID 93076605
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
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
1-benzyl-N,N-dimethyl-2-(morpholine-4-carbonyl)indole-5-sulfonamide
CID 50802027
N-[2-(cyclohexen-1-yl)ethyl]-5-(dimethylsulfamoyl)-1-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 50802064
5-(dimethylsulfamoyl)-1-methyl-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 50802022
1-benzyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dimethylindole-5-sulfonamide
CID 50802053
5-(dimethylsulfamoyl)-1-ethyl-N-(2-phenylpropyl)indole-2-carboxamide
CID 50801974
5-(dimethylsulfamoyl)-N-(2-methoxyethyl)-1-prop-2-enylindole-2-carboxamide
CID 50802007
4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45494460
1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide
CID 50801918

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide?
The IUPAC name of 1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide (CID 50801822) is 1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide?
The canonical SMILES for 1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide is CN(C)S(=O)(=O)c1ccc2c(c1)cc(C(=O)NCCCN1CCCCC1)n2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide?
The InChIKey is QRKVICZKHWQZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-28(2)34(32,33)23-12-13-24-22(18-23)19-25(30(24)20-21-10-5-3-6-11-21)26(31)27-14-9-17-29-15-7-4-8-16-29/h3,5-6,10-13,18-19H,4,7-9,14-17,20H2,1-2H3,(H,27,31).
What are the key properties of 1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide?
1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide has a molecular weight of 482.65 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)indole-2-carboxamide is sourced from PubChem (CID 50801822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).