N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide

C20H25NO4S — CID 100693973

IUPACN-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N[C@H](C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C20H25NO4S/c1-13-9-19(24-4)20(10-14(13)2)26(22,23)21-15(3)11-16-5-6-18-17(12-16)7-8-25-18/h5-6,9-10,12,15,21H,7-8,11H2,1-4H3/t15-/m1/s1
InChIKeyPHIQPRSPOAXMGH-OAHLLOKOSA-N
MW375.49 g/mol
LogP3.16
Rot. Bonds6

About N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide

N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 100693973) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID100693973
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)N[C@H](C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C20H25NO4S/c1-13-9-19(24-4)20(10-14(13)2)26(22,23)21-15(3)11-16-5-6-18-17(12-16)7-8-25-18/h5-6,9-10,12,15,21H,7-8,11H2,1-4H3/t15-/m1/s1
InChIKeyPHIQPRSPOAXMGH-OAHLLOKOSA-N
XLogP3.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 100693981
methyl N-[4-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-ylsulfamoyl]phenyl]carbamate
CID 91813566
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-N,5-dimethyl-2-propan-2-ylbenzenesulfonamide
CID 166311190
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 100694432
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 110787119
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 91813507
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperazine
CID 35315223
1-tert-butyl-3-[(2S)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]urea
CID 100694484
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-3-(4-methylsulfonylphenyl)propanamide
CID 100693287
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methoxy-5-methylaniline
CID 43804057
3-(benzenesulfonyl)-N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]propanamide
CID 100692740

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 100693973) is N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)N[C@H](C)Cc1ccc2c(c1)CCO2.
What is the InChIKey of N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is PHIQPRSPOAXMGH-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-13-9-19(24-4)20(10-14(13)2)26(22,23)21-15(3)11-16-5-6-18-17(12-16)7-8-25-18/h5-6,9-10,12,15,21H,7-8,11H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-[(2R)-1-(2,3-dihydro-1-benzofuran-5-yl)propan-2-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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]-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 100693973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).