N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

C21H22N2O4S — CID 100694432

IUPACN-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)N[C@H](C)Cc3ccc4c(c3)CCO4)cc2)co1
InChIInChI=1S/C21H22N2O4S/c1-14(11-16-3-8-21-18(12-16)9-10-26-21)23-28(24,25)19-6-4-17(5-7-19)20-13-27-15(2)22-20/h3-8,12-14,23H,9-11H2,1-2H3/t14-/m1/s1
InChIKeyDJGRZIFIJOARPR-CQSZACIVSA-N
MW398.48 g/mol
LogP3.49
Rot. Bonds6

About N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide

N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 100694432) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID100694432
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)N[C@H](C)Cc3ccc4c(c3)CCO4)cc2)co1
InChIInChI=1S/C21H22N2O4S/c1-14(11-16-3-8-21-18(12-16)9-10-26-21)23-28(24,25)19-6-4-17(5-7-19)20-13-27-15(2)22-20/h3-8,12-14,23H,9-11H2,1-2H3/t14-/m1/s1
InChIKeyDJGRZIFIJOARPR-CQSZACIVSA-N
XLogP3.49
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate
CID 91813566
N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 100693981
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 100693973
N-butan-2-yl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60647656
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583083
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(4-methylsulfonylphenyl)propanamide
CID 100693287
3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide
CID 100692740
4-(2-methyl-1,3-oxazol-4-yl)-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]benzenesulfonamide
CID 71857905
N-(1-hydroxybutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 43501667
N-[(2S)-1-hydroxybutan-2-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 104981893
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65192981
5-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2H-tetrazole
CID 158021450

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 100694432) is N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)N[C@H](C)Cc3ccc4c(c3)CCO4)cc2)co1.
What is the InChIKey of N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is DJGRZIFIJOARPR-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-14(11-16-3-8-21-18(12-16)9-10-26-21)23-28(24,25)19-6-4-17(5-7-19)20-13-27-15(2)22-20/h3-8,12-14,23H,9-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 398.48 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 100694432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).