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

C18H21N3O5S — CID 108503154

IUPACN-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H21N3O5S/c19-27(25,26)16-7-3-14(4-8-16)10-12-21-18(24)17(23)20-11-9-13-1-5-15(22)6-2-13/h1-8,22H,9-12H2,(H,20,23)(H,21,24)(H2,19,25,26)
InChIKeyPWCUPTMEOJSJRD-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.06
Rot. Bonds7

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

N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide (PubChem CID 108503154) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
PubChem CID108503154
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCCc2ccc(O)cc2)cc1
InChIInChI=1S/C18H21N3O5S/c19-27(25,26)16-7-3-14(4-8-16)10-12-21-18(24)17(23)20-11-9-13-1-5-15(22)6-2-13/h1-8,22H,9-12H2,(H,20,23)(H,21,24)(H2,19,25,26)
InChIKeyPWCUPTMEOJSJRD-UHFFFAOYSA-N
XLogP0.06
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 68795830
(Z)-2-cyano-N-[2-(4-hydroxyphenyl)ethyl]-3-[(4-sulfamoylphenyl)methylamino]prop-2-enamide
CID 108829234
N'-(5-hydroxynaphthalen-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108509374
2-(4-sulfamoylphenyl)ethylcarbamodithioic acid
CID 82593514
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 7943075
2-oxo-2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108517282
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108984696
1-ethyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 748226
N-(3-morpholin-4-ylpropyl)-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108518499
(E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide
CID 23320209
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide (CID 108503154) is N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide is NS(=O)(=O)c1ccc(CCNC(=O)C(=O)NCCc2ccc(O)cc2)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide?
The InChIKey is PWCUPTMEOJSJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c19-27(25,26)16-7-3-14(4-8-16)10-12-21-18(24)17(23)20-11-9-13-1-5-15(22)6-2-13/h1-8,22H,9-12H2,(H,20,23)(H,21,24)(H2,19,25,26).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide?
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide has a molecular weight of 391.45 g/mol, XLogP of 0.06, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide is sourced from PubChem (CID 108503154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).