N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide

C12H16N2O3S2 — CID 47070155

IUPACN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C12H16N2O3S2/c1-2-3-7-19(15,16)13-8-10-9-17-12(14-10)11-5-4-6-18-11/h4-6,9,13H,2-3,7-8H2,1H3
InChIKeyMOGZHLRMRVISMO-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.62
Rot. Bonds7

About N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide

N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide (PubChem CID 47070155) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide
PubChem CID47070155
Molecular FormulaC12H16N2O3S2
Molecular Weight300.40 g/mol
Exact Mass300.06
IUPAC NameN-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C12H16N2O3S2/c1-2-3-7-19(15,16)13-8-10-9-17-12(14-10)11-5-4-6-18-11/h4-6,9,13H,2-3,7-8H2,1H3
InChIKeyMOGZHLRMRVISMO-UHFFFAOYSA-N
XLogP2.62
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide (CID 47070155) is N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1coc(-c2cccs2)n1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide?
The InChIKey is MOGZHLRMRVISMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-2-3-7-19(15,16)13-8-10-9-17-12(14-10)11-5-4-6-18-11/h4-6,9,13H,2-3,7-8H2,1H3.
What are the key properties of N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide?
N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide has a molecular weight of 300.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 47070155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).