2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide

C20H23ClN2O7S — CID 10151889

IUPAC2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(NC(=O)CCl)c2)c(OC)c1
InChIInChI=1S/C20H23ClN2O7S/c1-27-14-10-18(29-3)15(19(11-14)30-4)7-8-31(25,26)23-13-5-6-17(28-2)16(9-13)22-20(24)12-21/h5-11,23H,12H2,1-4H3,(H,22,24)/b8-7+
InChIKeyDMUDYKYSQLKCSX-BQYQJAHWSA-N
MW470.93 g/mol
LogP3.31
Rot. Bonds10

About 2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide

2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide (PubChem CID 10151889) has the molecular formula C20H23ClN2O7S and a molecular weight of 470.93 g/mol. Its IUPAC name is 2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide
PubChem CID10151889
Molecular FormulaC20H23ClN2O7S
Molecular Weight470.93 g/mol
Exact Mass470.09
IUPAC Name2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide
SMILESCOc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(NC(=O)CCl)c2)c(OC)c1
InChIInChI=1S/C20H23ClN2O7S/c1-27-14-10-18(29-3)15(19(11-14)30-4)7-8-31(25,26)23-13-5-6-17(28-2)16(9-13)22-20(24)12-21/h5-11,23H,12H2,1-4H3,(H,22,24)/b8-7+
InChIKeyDMUDYKYSQLKCSX-BQYQJAHWSA-N
XLogP3.31
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]-3-oxopropanoic acid
CID 10310996
[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]-2-oxoethyl] acetate
CID 67319141
2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]anilino]acetic acid
CID 66810663
N-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenyl]-3,5-dinitrobenzamide
CID 173063036
(E)-N-[3-[[(Z)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]amino]-4-methoxyphenyl]-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 126519478
(E)-N-[3-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]-4-methoxyphenyl]-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 126519291
ethyl (E)-4-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]anilino]but-2-enoate;molecular hydrogen
CID 145244680
[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl] 2,2,2-trifluoroacetate
CID 67102628
4-[2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylamino]phenoxy]-2-oxoethoxy]-4-oxobutanoic acid
CID 67102488
2,2-difluoro-3-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenoxy]-3-oxopropanoic acid
CID 67102910
(E)-2-(4-hydroxy-2,6-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 71745325
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide (CID 10151889) is 2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide is COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(NC(=O)CCl)c2)c(OC)c1.
What is the InChIKey of 2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide?
The InChIKey is DMUDYKYSQLKCSX-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H23ClN2O7S/c1-27-14-10-18(29-3)15(19(11-14)30-4)7-8-31(25,26)23-13-5-6-17(28-2)16(9-13)22-20(24)12-21/h5-11,23H,12H2,1-4H3,(H,22,24)/b8-7+.
What are the key properties of 2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide?
2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide has a molecular weight of 470.93 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 10151889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).