N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide

C22H29N3O5S — CID 30126544

IUPACN-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29N3O5S/c1-4-25(5-2)31(28,29)20-12-8-17(9-13-20)14-15-23-21(26)22(27)24-16-18-6-10-19(30-3)11-7-18/h6-13H,4-5,14-16H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNCLFPSPGBBODTD-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.70
Rot. Bonds10

About N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide

N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 30126544) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
PubChem CID30126544
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NCc2ccc(OC)cc2)cc1
InChIInChI=1S/C22H29N3O5S/c1-4-25(5-2)31(28,29)20-12-8-17(9-13-20)14-15-23-21(26)22(27)24-16-18-6-10-19(30-3)11-7-18/h6-13H,4-5,14-16H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNCLFPSPGBBODTD-UHFFFAOYSA-N
XLogP1.70
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 30127290
N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 2272217
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372050
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7768251
2-[benzenesulfonyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372008
N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide
CID 30127373
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 26423148
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 26423088
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2506159
N-[2-(furan-3-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 90558497
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide (CID 30126544) is N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide is CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)NCc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is NCLFPSPGBBODTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-4-25(5-2)31(28,29)20-12-8-17(9-13-20)14-15-23-21(26)22(27)24-16-18-6-10-19(30-3)11-7-18/h6-13H,4-5,14-16H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide?
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 447.56 g/mol, XLogP of 1.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 30126544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).