N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide

C17H22N4O4S — CID 18285517

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CN2CCc3cc(S(N)(=O)=O)ccc32)on1
InChIInChI=1S/C17H22N4O4S/c1-17(2,3)14-9-16(25-20-14)19-15(22)10-21-7-6-11-8-12(26(18,23)24)4-5-13(11)21/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,22)(H2,18,23,24)
InChIKeyPLKNREHHCVBXMT-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.62
Rot. Bonds4

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide (PubChem CID 18285517) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
PubChem CID18285517
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CN2CCc3cc(S(N)(=O)=O)ccc32)on1
InChIInChI=1S/C17H22N4O4S/c1-17(2,3)14-9-16(25-20-14)19-15(22)10-21-7-6-11-8-12(26(18,23)24)4-5-13(11)21/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,22)(H2,18,23,24)
InChIKeyPLKNREHHCVBXMT-UHFFFAOYSA-N
XLogP1.62
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 17407802
methyl 3-[[2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 24568561
N-(2-propoxyphenyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 24568564
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8692063
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 34913690
N-[phenyl(1,3-thiazol-2-yl)methyl]-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 56541123
N-(1-phenylcyclobutyl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 60504798
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-formylpiperidin-1-yl)acetamide
CID 62654108
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8593411
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,3-dihydroindole-5-sulfonamide
CID 17407716
2-(4-amino-3-methylpiperidin-1-yl)-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 79873965
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82705490

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide (CID 18285517) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide is CC(C)(C)c1cc(NC(=O)CN2CCc3cc(S(N)(=O)=O)ccc32)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is PLKNREHHCVBXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-17(2,3)14-9-16(25-20-14)19-15(22)10-21-7-6-11-8-12(26(18,23)24)4-5-13(11)21/h4-5,8-9H,6-7,10H2,1-3H3,(H,19,22)(H2,18,23,24).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 378.45 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 18285517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).