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

C21H25N3O3S — CID 109065045

IUPACN-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O3S/c1-21(2,3)24-20(25)15-7-6-8-17(13-15)28(26,27)23-12-11-16-14-22-19-10-5-4-9-18(16)19/h4-10,13-14,22-23H,11-12H2,1-3H3,(H,24,25)
InChIKeyLLJFLZSMDAPJJT-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.22
Rot. Bonds6

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

N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide (PubChem CID 109065045) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
PubChem CID109065045
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H25N3O3S/c1-21(2,3)24-20(25)15-7-6-8-17(13-15)28(26,27)23-12-11-16-14-22-19-10-5-4-9-18(16)19/h4-10,13-14,22-23H,11-12H2,1-3H3,(H,24,25)
InChIKeyLLJFLZSMDAPJJT-UHFFFAOYSA-N
XLogP3.22
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

N-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109062575
3-(tert-butylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645056
N-[2-(1H-indol-3-yl)ethyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 27009969
N-tert-butyl-3-[2-(4-fluorophenyl)ethylsulfamoyl]benzamide
CID 109064999
3-(cyclopropylsulfamoyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 30867031
N-[2-(1H-indol-3-yl)ethyl]-3-nitrobenzenesulfonamide
CID 19590106
N-[2-(1H-indol-3-yl)ethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 27645730
4-[2-(1H-indol-3-yl)ethylsulfamoyl]-N-phenylbenzamide
CID 58615628
4-chloro-N-[2-(1H-indol-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 113083568
N-cyclopropyl-4-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide
CID 109058300
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
N-[2-(1H-indol-3-yl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 25039281

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide?
The IUPAC name of N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide (CID 109065045) is N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide.
What is the SMILES notation for N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide?
The canonical SMILES for N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide is CC(C)(C)NC(=O)c1cccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide?
The InChIKey is LLJFLZSMDAPJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-21(2,3)24-20(25)15-7-6-8-17(13-15)28(26,27)23-12-11-16-14-22-19-10-5-4-9-18(16)19/h4-10,13-14,22-23H,11-12H2,1-3H3,(H,24,25).
What are the key properties of N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide?
N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide has a molecular weight of 399.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(1H-indol-3-yl)ethylsulfamoyl]benzamide is sourced from PubChem (CID 109065045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).