2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide

C13H16N2O4S2 — CID 53079495

IUPAC2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C13H16N2O4S2/c1-9-13(7-12(20-9)11-4-5-14-19-11)21(16,17)15-8-10-3-2-6-18-10/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyKPBNAEVHNMDERD-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.17
Rot. Bonds5

About 2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide

2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide (PubChem CID 53079495) has the molecular formula C13H16N2O4S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide
PubChem CID53079495
Molecular FormulaC13H16N2O4S2
Molecular Weight328.42 g/mol
Exact Mass328.06
IUPAC Name2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C13H16N2O4S2/c1-9-13(7-12(20-9)11-4-5-14-19-11)21(16,17)15-8-10-3-2-6-18-10/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyKPBNAEVHNMDERD-UHFFFAOYSA-N
XLogP2.17
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-methyl-5-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53079450
2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95075806
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-3-sulfonamide
CID 95092083
2,3,4,5-tetramethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51681797
N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 2906606
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 43456566
2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 54888363
4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide (CID 53079495) is 2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide is Cc1sc(-c2ccno2)cc1S(=O)(=O)NCC1CCCO1.
What is the InChIKey of 2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is KPBNAEVHNMDERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S2/c1-9-13(7-12(20-9)11-4-5-14-19-11)21(16,17)15-8-10-3-2-6-18-10/h4-5,7,10,15H,2-3,6,8H2,1H3.
What are the key properties of 2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide?
2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 328.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 53079495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).