N-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide

C16H21N3O4S2 — CID 170505967

IUPACN-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESCC(C)(C)c1nc2c(o1)CCN(C(=O)CNS(=O)(=O)c1cccs1)C2
InChIInChI=1S/C16H21N3O4S2/c1-16(2,3)15-18-11-10-19(7-6-12(11)23-15)13(20)9-17-25(21,22)14-5-4-8-24-14/h4-5,8,17H,6-7,9-10H2,1-3H3
InChIKeyJEDCUPRRNPAGDA-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.90
Rot. Bonds4

About N-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide

N-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 170505967) has the molecular formula C16H21N3O4S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID170505967
Molecular FormulaC16H21N3O4S2
Molecular Weight383.50 g/mol
Exact Mass383.10
IUPAC NameN-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide
SMILESCC(C)(C)c1nc2c(o1)CCN(C(=O)CNS(=O)(=O)c1cccs1)C2
InChIInChI=1S/C16H21N3O4S2/c1-16(2,3)15-18-11-10-19(7-6-12(11)23-15)13(20)9-17-25(21,22)14-5-4-8-24-14/h4-5,8,17H,6-7,9-10H2,1-3H3
InChIKeyJEDCUPRRNPAGDA-UHFFFAOYSA-N
XLogP1.90
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 39888506
N-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 119423527
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 112991880
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 22583185
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyrimidin-5-ylmethanone
CID 169411802
N-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 6619088
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 119491037
(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-[1-(pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 170511079
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 120658921
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 46361154
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 5183080
N-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 70766606

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide (CID 170505967) is N-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide is CC(C)(C)c1nc2c(o1)CCN(C(=O)CNS(=O)(=O)c1cccs1)C2.
What is the InChIKey of N-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is JEDCUPRRNPAGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S2/c1-16(2,3)15-18-11-10-19(7-6-12(11)23-15)13(20)9-17-25(21,22)14-5-4-8-24-14/h4-5,8,17H,6-7,9-10H2,1-3H3.
What are the key properties of N-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide?
N-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 383.50 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 170505967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).