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

C21H27N3O5S — CID 30127290

IUPACN-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27N3O5S/c1-4-24(5-2)30(27,28)19-12-6-16(7-13-19)14-15-22-20(25)21(26)23-17-8-10-18(29-3)11-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyBTLJHQMOXZELCR-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.02
Rot. Bonds9

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

N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide (PubChem CID 30127290) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide
PubChem CID30127290
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27N3O5S/c1-4-24(5-2)30(27,28)19-12-6-16(7-13-19)14-15-22-20(25)21(26)23-17-8-10-18(29-3)11-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyBTLJHQMOXZELCR-UHFFFAOYSA-N
XLogP2.02
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.02
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)methyl]oxamide
CID 30126544
N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108507482
N'-(5-chloro-2-methoxyphenyl)-N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]oxamide
CID 30127373
4-[2-(4-methoxyphenyl)ethylcarbamoylamino]benzenesulfonic acid
CID 108901850
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7768251
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)butanamide
CID 26074925
N-[4-(diethylsulfamoyl)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 1293099
4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17308419
N'-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891641
N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 27652175

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide?
The IUPAC name of N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide (CID 30127290) is N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide?
The canonical SMILES for N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide is CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide?
The InChIKey is BTLJHQMOXZELCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-4-24(5-2)30(27,28)19-12-6-16(7-13-19)14-15-22-20(25)21(26)23-17-8-10-18(29-3)11-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide?
N-[2-[4-(diethylsulfamoyl)phenyl]ethyl]-N'-(4-methoxyphenyl)oxamide has a molecular weight of 433.53 g/mol, XLogP of 2.02, 9 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)oxamide is sourced from PubChem (CID 30127290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).