(E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide

C22H26N2O4S — CID 60549387

IUPAC(E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H26N2O4S/c1-2-28-19-13-10-18(11-14-19)12-15-22(25)23-20-8-4-5-9-21(20)29(26,27)24-16-6-3-7-17-24/h4-5,8-15H,2-3,6-7,16-17H2,1H3,(H,23,25)/b15-12+
InChIKeyQBSXOVCWWDNUTE-NTCAYCPXSA-N
MW414.53 g/mol
LogP3.91
Rot. Bonds7

About (E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide

(E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide (PubChem CID 60549387) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is (E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide
PubChem CID60549387
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name(E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H26N2O4S/c1-2-28-19-13-10-18(11-14-19)12-15-22(25)23-20-8-4-5-9-21(20)29(26,27)24-16-6-3-7-17-24/h4-5,8-15H,2-3,6-7,16-17H2,1H3,(H,23,25)/b15-12+
InChIKeyQBSXOVCWWDNUTE-NTCAYCPXSA-N
XLogP3.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.91
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

(E)-N-(2-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805515
(2E,4E)-N-(2-piperidin-1-ylsulfonylphenyl)hexa-2,4-dienamide
CID 60549459
(E)-N-(2-ethylphenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 6213234
(E)-3-(4-ethoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 804776
ethyl 2-[3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enoylamino]benzoate
CID 71904016
(E)-3-(3-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 52662791
N-(4-ethoxyphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 17227107
(E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 38691544
[2-(4-ethoxyanilino)-2-oxoethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
CID 3933869
(E)-N-(azepane-1-carbothioyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227391
3-(4-butoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 2792142
(E)-3-(4-ethoxyphenyl)-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 17227458

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide (CID 60549387) is (E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of (E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is QBSXOVCWWDNUTE-NTCAYCPXSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-2-28-19-13-10-18(11-14-19)12-15-22(25)23-20-8-4-5-9-21(20)29(26,27)24-16-6-3-7-17-24/h4-5,8-15H,2-3,6-7,16-17H2,1H3,(H,23,25)/b15-12+.
What are the key properties of (E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide?
(E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 414.53 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethoxyphenyl)-N-(2-piperidin-1-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 60549387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).