N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

C19H23N3O5S — CID 108510380

IUPACN'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H23N3O5S/c1-13(15-5-7-16(27-2)8-6-15)22-19(24)18(23)21-12-11-14-3-9-17(10-4-14)28(20,25)26/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyKIOVTKVRRWNZAZ-UHFFFAOYSA-N
MW405.48 g/mol
LogP0.88
Rot. Bonds7

About N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide

N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (PubChem CID 108510380) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
PubChem CID108510380
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC NameN'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H23N3O5S/c1-13(15-5-7-16(27-2)8-6-15)22-19(24)18(23)21-12-11-14-3-9-17(10-4-14)28(20,25)26/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyKIOVTKVRRWNZAZ-UHFFFAOYSA-N
XLogP0.88
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 110316930
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(4-methoxyphenyl)acetate
CID 9201232
N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108510962
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111170022
5-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 110297842
1-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 113198430
N'-[1-(4-methoxyphenyl)ethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108510275
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
1-ethyl-2-[3-(4-methoxyphenyl)butyl]-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111641700
N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
CID 108510377
N'-(2,2-dimethoxyethyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44997779

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The IUPAC name of N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide (CID 108510380) is N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The canonical SMILES for N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is COc1ccc(C(C)NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The InChIKey is KIOVTKVRRWNZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-13(15-5-7-16(27-2)8-6-15)22-19(24)18(23)21-12-11-14-3-9-17(10-4-14)28(20,25)26/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)(H2,20,25,26).
What are the key properties of N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide?
N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide has a molecular weight of 405.48 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide is sourced from PubChem (CID 108510380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).