N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide

C19H21NO5S — CID 124760523

IUPACN-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1OC
InChIInChI=1S/C19H21NO5S/c1-13(10-15-11-14-6-4-5-7-17(14)25-15)20-26(21,22)16-8-9-18(23-2)19(12-16)24-3/h4-9,11-13,20H,10H2,1-3H3/t13-/m1/s1
InChIKeyNCXBMVVFFFUWJK-CYBMUJFWSA-N
MW375.45 g/mol
LogP3.36
Rot. Bonds7

About N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide

N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 124760523) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide
PubChem CID124760523
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC NameN-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1OC
InChIInChI=1S/C19H21NO5S/c1-13(10-15-11-14-6-4-5-7-17(14)25-15)20-26(21,22)16-8-9-18(23-2)19(12-16)24-3/h4-9,11-13,20H,10H2,1-3H3/t13-/m1/s1
InChIKeyNCXBMVVFFFUWJK-CYBMUJFWSA-N
XLogP3.36
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 9189772
N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 119104181
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 124759808
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 124891791
N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 121021353
methyl (2S)-3-(1-benzofuran-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 122404349
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 124760277
N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 42947496
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-2-methoxyacetamide
CID 129354527
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 43834722

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide (CID 124760523) is N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](C)Cc2cc3ccccc3o2)cc1OC.
What is the InChIKey of N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is NCXBMVVFFFUWJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-13(10-15-11-14-6-4-5-7-17(14)25-15)20-26(21,22)16-8-9-18(23-2)19(12-16)24-3/h4-9,11-13,20H,10H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide?
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 124760523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).