N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

C23H21NO4S — CID 134953908

IUPACN-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H21NO4S/c1-16-7-13-20(14-8-16)29(25,26)24-23(17-9-11-19(27-2)12-10-17)22-15-18-5-3-4-6-21(18)28-22/h3-15,23-24H,1-2H3/t23-/m1/s1
InChIKeyQPLXAEVZHMBWLW-HSZRJFAPSA-N
MW407.49 g/mol
LogP4.82
Rot. Bonds6

About N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 134953908) has the molecular formula C23H21NO4S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID134953908
Molecular FormulaC23H21NO4S
Molecular Weight407.49 g/mol
Exact Mass407.12
IUPAC NameN-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H21NO4S/c1-16-7-13-20(14-8-16)29(25,26)24-23(17-9-11-19(27-2)12-10-17)22-15-18-5-3-4-6-21(18)28-22/h3-15,23-24H,1-2H3/t23-/m1/s1
InChIKeyQPLXAEVZHMBWLW-HSZRJFAPSA-N
XLogP4.82
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63091128
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 9189772
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
N-[(1R)-1-(1-benzofuran-2-yl)-2-trimethylsilylbuta-2,3-dienyl]-4-methylbenzenesulfonamide
CID 164686074
4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide
CID 2794488
4-methyl-N-[(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 134927453
4-methyl-N-[(R)-(4-methylphenyl)-(4-phenylphenyl)methyl]benzenesulfonamide
CID 102072204
methyl (2S)-3-(1-benzofuran-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 122404349
N-[cyano-(4-methylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 110664230
4-methoxy-3-methyl-N-[(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 43908516
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-6-methoxynaphthalene-2-sulfonamide
CID 100697968

Frequently Asked Questions

What is the IUPAC name of N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (CID 134953908) is N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is QPLXAEVZHMBWLW-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21NO4S/c1-16-7-13-20(14-8-16)29(25,26)24-23(17-9-11-19(27-2)12-10-17)22-15-18-5-3-4-6-21(18)28-22/h3-15,23-24H,1-2H3/t23-/m1/s1.
What are the key properties of N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 407.49 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 134953908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).