(E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide

C14H19ClN2O3S — CID 23320212

IUPAC(E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCc1ccc(S(=O)(=O)NCCCl)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-2-3-14(18)16-10-8-12-4-6-13(7-5-12)21(19,20)17-11-9-15/h2-7,17H,8-11H2,1H3,(H,16,18)/b3-2+
InChIKeyPMUTYKLXULPTTN-NSCUHMNNSA-N
MW330.84 g/mol
LogP1.44
Rot. Bonds8

About (E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide

(E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide (PubChem CID 23320212) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is (E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide
PubChem CID23320212
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name(E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCc1ccc(S(=O)(=O)NCCCl)cc1
InChIInChI=1S/C14H19ClN2O3S/c1-2-3-14(18)16-10-8-12-4-6-13(7-5-12)21(19,20)17-11-9-15/h2-7,17H,8-11H2,1H3,(H,16,18)/b3-2+
InChIKeyPMUTYKLXULPTTN-NSCUHMNNSA-N
XLogP1.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(4-sulfamoylphenyl)ethyl]but-2-enamide
CID 23320209
N-[2-(4-methylphenyl)ethyl]but-2-enamide
CID 91331870
(E)-N-[2-(4-bromophenyl)ethyl]but-2-enamide
CID 110478022
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]propanamide
CID 112507167
(2E,4E)-N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]hexa-2,4-dienamide
CID 108736448
4-oxo-4-[2-(4-sulfamoylphenyl)ethylamino]but-2-enoic acid
CID 4548807
(E)-3-(2-methylphenyl)sulfonyl-N-[2-[4-(methylsulfamoyl)phenyl]ethyl]prop-2-enamide
CID 175067275
2-[[4-(2-chloroethyl)phenyl]sulfonylamino]-N-methylacetamide
CID 43662571
2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
CID 12945846
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 27646822
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide (CID 23320212) is (E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide is C/C=C/C(=O)NCCc1ccc(S(=O)(=O)NCCCl)cc1.
What is the InChIKey of (E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide?
The InChIKey is PMUTYKLXULPTTN-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-2-3-14(18)16-10-8-12-4-6-13(7-5-12)21(19,20)17-11-9-15/h2-7,17H,8-11H2,1H3,(H,16,18)/b3-2+.
What are the key properties of (E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide?
(E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide has a molecular weight of 330.84 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[4-(2-chloroethylsulfamoyl)phenyl]ethyl]but-2-enamide is sourced from PubChem (CID 23320212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).