N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C22H28N4O5S — CID 30104388

IUPACN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc3onc(C(C)C)c3c2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C22H28N4O5S/c1-6-26(7-2)32(28,29)19-12-16(9-10-18(19)30-8-3)24-21(27)15-11-17-20(14(4)5)25-31-22(17)23-13-15/h9-14H,6-8H2,1-5H3,(H,24,27)
InChIKeyHSBFCCRKWGEWBE-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.03
Rot. Bonds9

About N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 30104388) has the molecular formula C22H28N4O5S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID30104388
Molecular FormulaC22H28N4O5S
Molecular Weight460.56 g/mol
Exact Mass460.18
IUPAC NameN-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc3onc(C(C)C)c3c2)cc1S(=O)(=O)N(CC)CC
InChIInChI=1S/C22H28N4O5S/c1-6-26(7-2)32(28,29)19-12-16(9-10-18(19)30-8-3)24-21(27)15-11-17-20(14(4)5)25-31-22(17)23-13-15/h9-14H,6-8H2,1-5H3,(H,24,27)
InChIKeyHSBFCCRKWGEWBE-UHFFFAOYSA-N
XLogP4.03
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3,5-difluorobenzamide
CID 8796668
3-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119686501
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
4-bromo-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-2,5-dimethylfuran-3-carboxamide
CID 55606313
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1-methylindole-3-carboxamide
CID 26369530
N-[2-[3-(diethylsulfamoyl)-4-ethoxyanilino]-2-oxoethyl]benzamide
CID 55349891
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methylbut-2-enamide
CID 31541629
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide
CID 120984552
2-amino-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-methoxypropanamide;hydrochloride
CID 120984551
1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide
CID 24559888
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 9224063
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9224061

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 30104388) is N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCOc1ccc(NC(=O)c2cnc3onc(C(C)C)c3c2)cc1S(=O)(=O)N(CC)CC.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is HSBFCCRKWGEWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5S/c1-6-26(7-2)32(28,29)19-12-16(9-10-18(19)30-8-3)24-21(27)15-11-17-20(14(4)5)25-31-22(17)23-13-15/h9-14H,6-8H2,1-5H3,(H,24,27).
What are the key properties of N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 30104388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).