N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide

C21H25N3O3S — CID 109062575

IUPACN-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
SMILESCCCCNC(=O)c1cccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O3S/c1-2-3-12-22-21(25)16-7-6-8-18(14-16)28(26,27)24-13-11-17-15-23-20-10-5-4-9-19(17)20/h4-10,14-15,23-24H,2-3,11-13H2,1H3,(H,22,25)
InChIKeyHQYMEPPZMMCTOG-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.22
Rot. Bonds9

About N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide

N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide (PubChem CID 109062575) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
PubChem CID109062575
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
SMILESCCCCNC(=O)c1cccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O3S/c1-2-3-12-22-21(25)16-7-6-8-18(14-16)28(26,27)24-13-11-17-15-23-20-10-5-4-9-19(17)20/h4-10,14-15,23-24H,2-3,11-13H2,1H3,(H,22,25)
InChIKeyHQYMEPPZMMCTOG-UHFFFAOYSA-N
XLogP3.22
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27009969
N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109065045
3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645056
3-(cyclopropylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 30867031
N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27645730
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
3-N,3-N-diethyl-1-N-[2-(1H-indol-3-yl)ethyl]benzene-1,3-dicarboxamide
CID 109055657
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088487
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
N-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)benzamide
CID 51200340
3-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26710792

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide?
The IUPAC name of N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide (CID 109062575) is N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide.
What is the SMILES notation for N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide?
The canonical SMILES for N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide is CCCCNC(=O)c1cccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide?
The InChIKey is HQYMEPPZMMCTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-2-3-12-22-21(25)16-7-6-8-18(14-16)28(26,27)24-13-11-17-15-23-20-10-5-4-9-19(17)20/h4-10,14-15,23-24H,2-3,11-13H2,1H3,(H,22,25).
What are the key properties of N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide?
N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide has a molecular weight of 399.52 g/mol, XLogP of 3.22, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide is sourced from PubChem (CID 109062575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).