4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

C18H19N3O4S2 — CID 131906726

IUPAC4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cc(-c2ccno2)cs1)N(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C18H19N3O4S2/c22-27(23,18-10-14(13-26-18)17-6-8-20-25-17)21(12-16-5-3-9-24-16)11-15-4-1-2-7-19-15/h1-2,4,6-8,10,13,16H,3,5,9,11-12H2
InChIKeyGTMXNNJHGADYLD-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.17
Rot. Bonds7

About 4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 131906726) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID131906726
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC Name4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cc(-c2ccno2)cs1)N(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C18H19N3O4S2/c22-27(23,18-10-14(13-26-18)17-6-8-20-25-17)21(12-16-5-3-9-24-16)11-15-4-1-2-7-19-15/h1-2,4,6-8,10,13,16H,3,5,9,11-12H2
InChIKeyGTMXNNJHGADYLD-UHFFFAOYSA-N
XLogP3.17
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 131951084
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 131935385
1-N-cyclopentyl-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-(pyridin-2-ylmethyl)benzene-1,4-disulfonamide
CID 1176424
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338392
5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
CID 51048399
3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 96577763
N-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 43818156
4-(3,5-dimethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)oxane-4-carboxamide
CID 92612247
5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
CID 42955157
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 42522163
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 47000481

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide (CID 131906726) is 4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(c1cc(-c2ccno2)cs1)N(Cc1ccccn1)CC1CCCO1.
What is the InChIKey of 4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is GTMXNNJHGADYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c22-27(23,18-10-14(13-26-18)17-6-8-20-25-17)21(12-16-5-3-9-24-16)11-15-4-1-2-7-19-15/h1-2,4,6-8,10,13,16H,3,5,9,11-12H2.
What are the key properties of 4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 405.50 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 131906726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).