4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide

C36H32N2O6S2 — CID 2794488

IUPAC4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](c2ccc3ccccc3c2)[C@@H](NS(=O)(=O)c2ccc(OC)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C36H32N2O6S2/c1-43-31-15-19-33(20-16-31)45(39,40)37-35(29-13-11-25-7-3-5-9-27(25)23-29)36(30-14-12-26-8-4-6-10-28(26)24-30)38-46(41,42)34-21-17-32(44-2)18-22-34/h3-24,35-38H,1-2H3/t35-,36+
InChIKeyKQZLJITZTXQIDQ-TYHGNQNSSA-N
MW652.79 g/mol
LogP6.75
Rot. Bonds11

About 4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide

4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide (PubChem CID 2794488) has the molecular formula C36H32N2O6S2 and a molecular weight of 652.79 g/mol. Its IUPAC name is 4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide
PubChem CID2794488
Molecular FormulaC36H32N2O6S2
Molecular Weight652.79 g/mol
Exact Mass652.17
IUPAC Name4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](c2ccc3ccccc3c2)[C@@H](NS(=O)(=O)c2ccc(OC)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C36H32N2O6S2/c1-43-31-15-19-33(20-16-31)45(39,40)37-35(29-13-11-25-7-3-5-9-27(25)23-29)36(30-14-12-26-8-4-6-10-28(26)24-30)38-46(41,42)34-21-17-32(44-2)18-22-34/h3-24,35-38H,1-2H3/t35-,36+
InChIKeyKQZLJITZTXQIDQ-TYHGNQNSSA-N
XLogP6.75
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.79
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
N-[2-hydroxy-2-(2-methoxyphenyl)-1-naphthalen-2-ylethyl]-4-methylbenzenesulfonamide
CID 101182507
naphthalen-2-yl 2-[(S)-(4-methoxyphenyl)-[(4-methoxyphenyl)sulfonylamino]methyl]prop-2-enoate
CID 135055280
4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 4092765
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 74226638
N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
CID 87738093
2-[(4-methoxyphenyl)sulfonylamino]-2-phenylacetic acid
CID 500044
N-[(R)-1-benzofuran-2-yl-(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 134953908
N-(2-chloro-1-phenylethyl)-4-methoxybenzenesulfonamide
CID 65031277
N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3856881
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide (CID 2794488) is 4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](c2ccc3ccccc3c2)[C@@H](NS(=O)(=O)c2ccc(OC)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide?
The InChIKey is KQZLJITZTXQIDQ-TYHGNQNSSA-N. The full InChI is InChI=1S/C36H32N2O6S2/c1-43-31-15-19-33(20-16-31)45(39,40)37-35(29-13-11-25-7-3-5-9-27(25)23-29)36(30-14-12-26-8-4-6-10-28(26)24-30)38-46(41,42)34-21-17-32(44-2)18-22-34/h3-24,35-38H,1-2H3/t35-,36+.
What are the key properties of 4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide?
4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide has a molecular weight of 652.79 g/mol, XLogP of 6.75, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]-1,2-dinaphthalen-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 2794488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).