N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide

C19H23N3O4S — CID 108510962

IUPACN'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-3-14-4-8-16(9-5-14)13(2)22-19(24)18(23)21-12-15-6-10-17(11-7-15)27(20,25)26/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyHDPWPTUMJBRFIU-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.39
Rot. Bonds6

About N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide

N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide (PubChem CID 108510962) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
PubChem CID108510962
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H23N3O4S/c1-3-14-4-8-16(9-5-14)13(2)22-19(24)18(23)21-12-15-6-10-17(11-7-15)27(20,25)26/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyHDPWPTUMJBRFIU-UHFFFAOYSA-N
XLogP1.39
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 4-ethylbenzoate
CID 9230085
N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108510380
1-(4-ethylphenyl)-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]thiourea
CID 8684466
N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520363
1-(1-phenylethyl)-3-[(4-sulfamoylphenyl)methyl]thiourea
CID 19649491
N-[1-(4-methylphenyl)ethyl]-2-[(4-sulfamoylphenyl)methylamino]acetamide
CID 50957640
N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 108510944
N-pentyl-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520263
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
N'-[1-(4-ethylphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 108511080
N-[1-(4-ethylphenyl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 51164410
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide?
The IUPAC name of N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide (CID 108510962) is N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide?
The canonical SMILES for N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide is CCc1ccc(C(C)NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide?
The InChIKey is HDPWPTUMJBRFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-3-14-4-8-16(9-5-14)13(2)22-19(24)18(23)21-12-15-6-10-17(11-7-15)27(20,25)26/h4-11,13H,3,12H2,1-2H3,(H,21,23)(H,22,24)(H2,20,25,26).
What are the key properties of N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide?
N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide has a molecular weight of 389.48 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide is sourced from PubChem (CID 108510962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).