N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide

C20H26N4O4S — CID 108520359

IUPACN'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H26N4O4S/c1-4-24(5-2)16-8-11-18(14(3)12-16)23-20(26)19(25)22-13-15-6-9-17(10-7-15)29(21,27)28/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H,23,26)(H2,21,27,28)
InChIKeyOTITYWJJJHERBZ-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.74
Rot. Bonds7

About N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide

N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide (PubChem CID 108520359) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
PubChem CID108520359
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C20H26N4O4S/c1-4-24(5-2)16-8-11-18(14(3)12-16)23-20(26)19(25)22-13-15-6-9-17(10-7-15)29(21,27)28/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H,23,26)(H2,21,27,28)
InChIKeyOTITYWJJJHERBZ-UHFFFAOYSA-N
XLogP1.74
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(4-bromo-2-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520368
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799
N'-[4-(diethylamino)-2-methylphenyl]-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503202
N'-[4-(diethylamino)-2-methylphenyl]-N-(4-ethylphenyl)oxamide
CID 108522352
1-benzyl-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108871335
1-[4-(diethylamino)-2-methylphenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868243
N'-(4-bromo-3-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520369
N'-[4-(diethylamino)-2-methylphenyl]-N-(5-hydroxypentyl)oxamide
CID 108525861
N'-(2-amino-5-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108532401
N-[4-(diethylamino)-2-methylphenyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519226
N'-[4-(dimethylamino)-2-methylphenyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 71894836
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide?
The IUPAC name of N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide (CID 108520359) is N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide?
The canonical SMILES for N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide is CCN(CC)c1ccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)c1.
What is the InChIKey of N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide?
The InChIKey is OTITYWJJJHERBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-4-24(5-2)16-8-11-18(14(3)12-16)23-20(26)19(25)22-13-15-6-9-17(10-7-15)29(21,27)28/h6-12H,4-5,13H2,1-3H3,(H,22,25)(H,23,26)(H2,21,27,28).
What are the key properties of N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide?
N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide has a molecular weight of 418.52 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(diethylamino)-2-methylphenyl]-N-[(4-sulfamoylphenyl)methyl]oxamide is sourced from PubChem (CID 108520359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).