(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

C17H16ClFN2O4S2 — CID 24608354

IUPAC(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)s1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H16ClFN2O4S2/c18-16-5-2-13(26-16)3-6-17(22)20-12-1-4-14(19)15(11-12)27(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)/b6-3+
InChIKeyJVPCJFNSZSFMBY-ZZXKWVIFSA-N
MW430.91 g/mol
LogP3.21
Rot. Bonds5

About (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide

(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (PubChem CID 24608354) has the molecular formula C17H16ClFN2O4S2 and a molecular weight of 430.91 g/mol. Its IUPAC name is (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
PubChem CID24608354
Molecular FormulaC17H16ClFN2O4S2
Molecular Weight430.91 g/mol
Exact Mass430.02
IUPAC Name(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)s1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H16ClFN2O4S2/c18-16-5-2-13(26-16)3-6-17(22)20-12-1-4-14(19)15(11-12)27(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)/b6-3+
InChIKeyJVPCJFNSZSFMBY-ZZXKWVIFSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)thiophene-2-carboxamide
CID 4093593
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5021320
N-(3-Fluorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1238883
N-(2-Chlorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1312252
N-(4-Chlorophenyl)-4-(morpholine-4-sulfonyl)thiophene-2-carboxamide
CID 1117949
5-chloro-N-(4-(morpholinosulfonyl)phenyl)thiophene-2-carboxamide
CID 2147582
5-chloro-N-[3-(4-morpholinylsulfonyl)phenyl]-2-thiophenesulfonamide
CID 3607355
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4800937
(E)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide
CID 6110967
(E)-N-[3-[(2,5-dichlorophenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-thiophen-2-ylprop-2-enamide;N,N-dimethylformamide
CID 15944844
5-chloro-N-[2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]thiophene-2-carboxamide
CID 24979581
N-(2-fluorophenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 2996647

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide (CID 24608354) is (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)s1)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is JVPCJFNSZSFMBY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C17H16ClFN2O4S2/c18-16-5-2-13(26-16)3-6-17(22)20-12-1-4-14(19)15(11-12)27(23,24)21-7-9-25-10-8-21/h1-6,11H,7-10H2,(H,20,22)/b6-3+.
What are the key properties of (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide?
(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 430.91 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 24608354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).