N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide

C23H30N2O5S — CID 97429002

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
SMILESC/C=C\c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O5S/c1-5-8-18-11-14-21(22(15-18)29-4)30-17-23(26)24-16-19-9-12-20(13-10-19)31(27,28)25(6-2)7-3/h5,8-15H,6-7,16-17H2,1-4H3,(H,24,26)/b8-5-
InChIKeyRRQIFDCPJLDDAE-YVMONPNESA-N
MW446.57 g/mol
LogP3.45
Rot. Bonds11

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide (PubChem CID 97429002) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
PubChem CID97429002
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide
SMILESC/C=C\c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)c(OC)c1
InChIInChI=1S/C23H30N2O5S/c1-5-8-18-11-14-21(22(15-18)29-4)30-17-23(26)24-16-19-9-12-20(13-10-19)31(27,28)25(6-2)7-3/h5,8-15H,6-7,16-17H2,1-4H3,(H,24,26)/b8-5-
InChIKeyRRQIFDCPJLDDAE-YVMONPNESA-N
XLogP3.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26423489
2-[4-(diethylsulfamoyl)phenoxy]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28554472
methyl N-[4-[[[2-(2-methoxy-4-prop-1-enylphenoxy)acetyl]amino]methyl]phenyl]carbamate
CID 55732069
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 55588022
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 4-(diethylsulfamoyl)benzenesulfonate
CID 32940454
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7478784
2-(2-methoxy-4-prop-1-enylphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 55546294
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 26423148
2-(2-tert-butylphenoxy)-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 24549137
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 9314320

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide (CID 97429002) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide is C/C=C\c1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)c(OC)c1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide?
The InChIKey is RRQIFDCPJLDDAE-YVMONPNESA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-5-8-18-11-14-21(22(15-18)29-4)30-17-23(26)24-16-19-9-12-20(13-10-19)31(27,28)25(6-2)7-3/h5,8-15H,6-7,16-17H2,1-4H3,(H,24,26)/b8-5-.
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide has a molecular weight of 446.57 g/mol, XLogP of 3.45, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]acetamide is sourced from PubChem (CID 97429002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).