(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide

C18H20N2O3S2 — CID 30269722

IUPAC(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H20N2O3S2/c21-18(9-4-15-10-13-24-14-15)19-16-5-7-17(8-6-16)25(22,23)20-11-2-1-3-12-20/h4-10,13-14H,1-3,11-12H2,(H,19,21)/b9-4+
InChIKeyUDKAHQLBNCTPJT-RUDMXATFSA-N
MW376.50 g/mol
LogP3.57
Rot. Bonds5

About (E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide

(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide (PubChem CID 30269722) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide
PubChem CID30269722
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H20N2O3S2/c21-18(9-4-15-10-13-24-14-15)19-16-5-7-17(8-6-16)25(22,23)20-11-2-1-3-12-20/h4-10,13-14H,1-3,11-12H2,(H,19,21)/b9-4+
InChIKeyUDKAHQLBNCTPJT-RUDMXATFSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxyphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 146421331
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 1185492
3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1334857
(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 2331637
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 4613238
(E)-3-(4-methoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1363250
(Z)-4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobut-2-enoic acid
CID 2265448
(E)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-3-ylprop-2-enamide
CID 60582072
(E)-3-(3-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 2429875
(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide
CID 30268790
(E)-3-(2,4-dichlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 17070631
3-(2-methoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4506725

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide (CID 30269722) is (E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide is O=C(/C=C/c1ccsc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of (E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide?
The InChIKey is UDKAHQLBNCTPJT-RUDMXATFSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c21-18(9-4-15-10-13-24-14-15)19-16-5-7-17(8-6-16)25(22,23)20-11-2-1-3-12-20/h4-10,13-14H,1-3,11-12H2,(H,19,21)/b9-4+.
What are the key properties of (E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide?
(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide has a molecular weight of 376.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 30269722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).