N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide

C19H21N3O4S — CID 167992796

IUPACN-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-2-18(23)22-17-6-4-3-5-15(17)13-19(24)21-12-11-14-7-9-16(10-8-14)27(20,25)26/h2-10H,1,11-13H2,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyMOGAXJZXVTWNSQ-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.36
Rot. Bonds8

About N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide

N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide (PubChem CID 167992796) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide
PubChem CID167992796
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H21N3O4S/c1-2-18(23)22-17-6-4-3-5-15(17)13-19(24)21-12-11-14-7-9-16(10-8-14)27(20,25)26/h2-10H,1,11-13H2,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyMOGAXJZXVTWNSQ-UHFFFAOYSA-N
XLogP1.36
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 55482671
2-[(2-chlorophenyl)methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108997936
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2116610
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
2-[(2-chlorophenyl)methylsulfanyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 9210377
N-[2-[2-oxo-2-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]ethyl]phenyl]prop-2-enamide
CID 166420665
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
3-(benzenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 27538225
N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3640741

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide (CID 167992796) is N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide?
The InChIKey is MOGAXJZXVTWNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-2-18(23)22-17-6-4-3-5-15(17)13-19(24)21-12-11-14-7-9-16(10-8-14)27(20,25)26/h2-10H,1,11-13H2,(H,21,24)(H,22,23)(H2,20,25,26).
What are the key properties of N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide?
N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide has a molecular weight of 387.46 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 167992796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).