N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide

C19H25N3O3S — CID 109027692

IUPACN-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
SMILESCCc1ccc(NC(=O)CCNCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-2-15-3-7-17(8-4-15)22-19(23)12-14-21-13-11-16-5-9-18(10-6-16)26(20,24)25/h3-10,21H,2,11-14H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyARWPGYHQDKKVIF-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.06
Rot. Bonds9

About N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide

N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide (PubChem CID 109027692) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
PubChem CID109027692
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
SMILESCCc1ccc(NC(=O)CCNCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C19H25N3O3S/c1-2-15-3-7-17(8-4-15)22-19(23)12-14-21-13-11-16-5-9-18(10-6-16)26(20,24)25/h3-10,21H,2,11-14H2,1H3,(H,22,23)(H2,20,24,25)
InChIKeyARWPGYHQDKKVIF-UHFFFAOYSA-N
XLogP2.06
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
N-(4-tert-butylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002567
N-(2,4-dimethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109027685
N-[(4-methylphenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109019770
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
N-(4-iodophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24641005
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
3-(4-ethylphenyl)-N-(3-sulfamoylphenyl)propanamide
CID 9403583
3-(4-ethylphenyl)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141287
4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 24634981
N-[(4-fluorophenyl)methyl]-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide
CID 109021026
N-(3-chloro-4-methylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002575

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
The IUPAC name of N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide (CID 109027692) is N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
The canonical SMILES for N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide is CCc1ccc(NC(=O)CCNCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
The InChIKey is ARWPGYHQDKKVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-2-15-3-7-17(8-4-15)22-19(23)12-14-21-13-11-16-5-9-18(10-6-16)26(20,24)25/h3-10,21H,2,11-14H2,1H3,(H,22,23)(H2,20,24,25).
What are the key properties of N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide?
N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide has a molecular weight of 375.49 g/mol, XLogP of 2.06, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-[2-(4-sulfamoylphenyl)ethylamino]propanamide is sourced from PubChem (CID 109027692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).