3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide

C20H16N2O5S — CID 86923783

IUPAC3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)cc2o1
InChIInChI=1S/C20H16N2O5S/c1-13-21-17-8-7-15(11-18(17)27-13)22-20(23)19-14(9-10-26-19)12-28(24,25)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,22,23)
InChIKeyBJWHJHZYDYGFHM-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.96
Rot. Bonds5

About 3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide

3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide (PubChem CID 86923783) has the molecular formula C20H16N2O5S and a molecular weight of 396.42 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
PubChem CID86923783
Molecular FormulaC20H16N2O5S
Molecular Weight396.42 g/mol
Exact Mass396.08
IUPAC Name3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)cc2o1
InChIInChI=1S/C20H16N2O5S/c1-13-21-17-8-7-15(11-18(17)27-13)22-20(23)19-14(9-10-26-19)12-28(24,25)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,22,23)
InChIKeyBJWHJHZYDYGFHM-UHFFFAOYSA-N
XLogP3.96
TPSA102.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonylmethyl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 34978340
3-(benzenesulfonylmethyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 46692750
3-(benzenesulfonylmethyl)-N-(4-methyl-2-pyridinyl)furan-2-carboxamide
CID 51284345
3-(benzenesulfonylmethyl)-N-(4-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 37018546
methyl 3-[2-[3-[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]phenyl]ethynyl]benzoate
CID 38087980
3-(benzenesulfonylmethyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 55532959
3-(benzenesulfonylmethyl)-N-[4-[3-(dimethylamino)propoxy]phenyl]furan-2-carboxamide
CID 86898374
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
N-[1-(3-acetamidophenyl)ethyl]-3-(benzenesulfonylmethyl)furan-2-carboxamide
CID 46580364
3-(benzenesulfonylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]furan-2-carboxamide
CID 55711975
5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 87000879
ethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate
CID 35726189

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide (CID 86923783) is 3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide is Cc1nc2ccc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)cc2o1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide?
The InChIKey is BJWHJHZYDYGFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5S/c1-13-21-17-8-7-15(11-18(17)27-13)22-20(23)19-14(9-10-26-19)12-28(24,25)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of 3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide?
3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide is sourced from PubChem (CID 86923783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).