N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide

C20H29N3O5S — CID 53005009

IUPACN-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C20H29N3O5S/c1-20(2,3)21-29(26,27)16-4-5-17-15(14-16)8-9-23(17)19(25)7-6-18(24)22-10-12-28-13-11-22/h4-5,14,21H,6-13H2,1-3H3
InChIKeyBGKBNJVTEWBNBX-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.29
Rot. Bonds5

About N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide

N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 53005009) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID53005009
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC NameN-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C20H29N3O5S/c1-20(2,3)21-29(26,27)16-4-5-17-15(14-16)8-9-23(17)19(25)7-6-18(24)22-10-12-28-13-11-22/h4-5,14,21H,6-13H2,1-3H3
InChIKeyBGKBNJVTEWBNBX-UHFFFAOYSA-N
XLogP1.29
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate
CID 3453924
N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025563
N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025542
N-(5-chloro-2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025546
N-[(4-methylphenyl)methyl]-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025447
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 53025638
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53004989
5-(tert-butylsulfamoyl)-2-morpholin-4-ylbenzoic acid
CID 99982592
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 53025625
N-[(4-chlorophenyl)methyl]-1-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53030615
N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025463
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(4-ethylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 53057564

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide (CID 53005009) is N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide is CC(C)(C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCOCC1.
What is the InChIKey of N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BGKBNJVTEWBNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5S/c1-20(2,3)21-29(26,27)16-4-5-17-15(14-16)8-9-23(17)19(25)7-6-18(24)22-10-12-28-13-11-22/h4-5,14,21H,6-13H2,1-3H3.
What are the key properties of N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide?
N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 423.54 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 53005009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).