N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C17H16N2O5S — CID 55627727

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCC3Cc4ccccc4O3)ccc21
InChIInChI=1S/C17H16N2O5S/c1-19-14-7-6-13(9-16(14)24-17(19)20)25(21,22)18-10-12-8-11-4-2-3-5-15(11)23-12/h2-7,9,12,18H,8,10H2,1H3
InChIKeyLEMVYUSTRXFMLM-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.41
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 55627727) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID55627727
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)NCC3Cc4ccccc4O3)ccc21
InChIInChI=1S/C17H16N2O5S/c1-19-14-7-6-13(9-16(14)24-17(19)20)25(21,22)18-10-12-8-11-4-2-3-5-15(11)23-12/h2-7,9,12,18H,8,10H2,1H3
InChIKeyLEMVYUSTRXFMLM-UHFFFAOYSA-N
XLogP1.41
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-(oxan-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110736456
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 138042840
4-acetyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenesulfonamide
CID 51114055
4-(difluoromethylsulfonyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]benzenesulfonamide
CID 34141612
4-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylsulfamoyl]-N-methylbenzamide
CID 34143437
N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63731478
N-(2,3-dihydroxypropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 66176261
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanamide
CID 55612922
N-butyl-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 20859011
4-(2,3-dihydro-1-benzofuran-2-ylmethylsulfamoyl)-N,N-diethylbenzamide
CID 47954952
N-(2-aminobutyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63730962
3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
CID 666515

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 55627727) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)NCC3Cc4ccccc4O3)ccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is LEMVYUSTRXFMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-19-14-7-6-13(9-16(14)24-17(19)20)25(21,22)18-10-12-8-11-4-2-3-5-15(11)23-12/h2-7,9,12,18H,8,10H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 360.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 55627727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).