N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C14H16N2O4S — CID 34142954

IUPACN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@H]1Cc2ccccc2O1
InChIInChI=1S/C14H16N2O4S/c1-9-14(10(2)20-16-9)21(17,18)15-8-12-7-11-5-3-4-6-13(11)19-12/h3-6,12,15H,7-8H2,1-2H3/t12-/m1/s1
InChIKeyYQUWRBRXWRZFCF-GFCCVEGCSA-N
MW308.36 g/mol
LogP1.57
Rot. Bonds4

About N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 34142954) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID34142954
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC[C@H]1Cc2ccccc2O1
InChIInChI=1S/C14H16N2O4S/c1-9-14(10(2)20-16-9)21(17,18)15-8-12-7-11-5-3-4-6-13(11)19-12/h3-6,12,15H,7-8H2,1-2H3/t12-/m1/s1
InChIKeyYQUWRBRXWRZFCF-GFCCVEGCSA-N
XLogP1.57
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6931804
2-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61045608
3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 42949928
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 39236485
3,5-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110404443
(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 55937481
4-acetyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenesulfonamide
CID 51114055
3,5-dimethyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110710461
4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide
CID 34141612
5-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylimidazole-4-sulfonamide
CID 63978130
3,5-dimethyl-N-[(1-phenylpyrrolidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 90619979
4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 34143437

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 34142954) is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC[C@H]1Cc2ccccc2O1.
What is the InChIKey of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is YQUWRBRXWRZFCF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-9-14(10(2)20-16-9)21(17,18)15-8-12-7-11-5-3-4-6-13(11)19-12/h3-6,12,15H,7-8H2,1-2H3/t12-/m1/s1.
What are the key properties of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 308.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 34142954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).