(E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide

C23H23NO4S — CID 8802776

IUPAC(E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)/C=C/c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H23NO4S/c1-27-23-16-21(12-13-22(23)28-18-20-10-6-3-7-11-20)17-24-29(25,26)15-14-19-8-4-2-5-9-19/h2-16,24H,17-18H2,1H3/b15-14+
InChIKeyDQTQCHXQYIZGCK-CCEZHUSRSA-N
MW409.51 g/mol
LogP4.36
Rot. Bonds9

About (E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide

(E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide (PubChem CID 8802776) has the molecular formula C23H23NO4S and a molecular weight of 409.51 g/mol. Its IUPAC name is (E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide
PubChem CID8802776
Molecular FormulaC23H23NO4S
Molecular Weight409.51 g/mol
Exact Mass409.13
IUPAC Name(E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)/C=C/c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H23NO4S/c1-27-23-16-21(12-13-22(23)28-18-20-10-6-3-7-11-20)17-24-29(25,26)15-14-19-8-4-2-5-9-19/h2-16,24H,17-18H2,1H3/b15-14+
InChIKeyDQTQCHXQYIZGCK-CCEZHUSRSA-N
XLogP4.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 27866075
(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide
CID 9189230
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide
CID 1487527
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-phenylethenesulfonamide
CID 46696275
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55713372
4-(iodomethyl)-2-methoxy-1-phenylmethoxybenzene
CID 11164050
N,N'-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]butane-1,4-diamine
CID 57403137
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 39123867
3-cyano-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 28534651
(E)-3-(3-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]prop-2-enamide
CID 27838770
4-(2-methoxyethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 55639172
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide (CID 8802776) is (E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide is COc1cc(CNS(=O)(=O)/C=C/c2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of (E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide?
The InChIKey is DQTQCHXQYIZGCK-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H23NO4S/c1-27-23-16-21(12-13-22(23)28-18-20-10-6-3-7-11-20)17-24-29(25,26)15-14-19-8-4-2-5-9-19/h2-16,24H,17-18H2,1H3/b15-14+.
What are the key properties of (E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide?
(E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 8802776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).