N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide

C20H21ClN2O4S — CID 55687392

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(S(=O)(=O)NC2CC2)cc1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4S/c21-16-4-8-18(9-5-16)27-14-13-22-20(24)12-3-15-1-10-19(11-2-15)28(25,26)23-17-6-7-17/h1-5,8-12,17,23H,6-7,13-14H2,(H,22,24)
InChIKeySFUWTMLBRYGJBC-UHFFFAOYSA-N
MW420.92 g/mol
LogP2.99
Rot. Bonds9

About N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide

N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 55687392) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
PubChem CID55687392
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(S(=O)(=O)NC2CC2)cc1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN2O4S/c21-16-4-8-18(9-5-16)27-14-13-22-20(24)12-3-15-1-10-19(11-2-15)28(25,26)23-17-6-7-17/h1-5,8-12,17,23H,6-7,13-14H2,(H,22,24)
InChIKeySFUWTMLBRYGJBC-UHFFFAOYSA-N
XLogP2.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(2-phenylphenoxy)ethyl]prop-2-enamide
CID 75920130
N-[2-(4-chlorophenoxy)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 3127033
3-(4-chlorophenyl)-N-[2-(cyclopropylamino)ethyl]prop-2-enamide
CID 76948159
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)sulfonylprop-2-enamide
CID 52636492
(E)-N-[2-(4-chlorophenoxy)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 26126122
4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565571
4-chloro-N-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 25037622
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352
(E)-3-(4-chlorophenyl)-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]prop-2-enamide
CID 108759033
(E)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
CID 38964102
N-[(3-bromo-4-methoxyphenyl)methyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide
CID 76879785

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide (CID 55687392) is N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide is O=C(C=Cc1ccc(S(=O)(=O)NC2CC2)cc1)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is SFUWTMLBRYGJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O4S/c21-16-4-8-18(9-5-16)27-14-13-22-20(24)12-3-15-1-10-19(11-2-15)28(25,26)23-17-6-7-17/h1-5,8-12,17,23H,6-7,13-14H2,(H,22,24).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide?
N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 420.92 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-3-[4-(cyclopropylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 55687392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).