(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

C20H24N2O4S2 — CID 9427956

IUPAC(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(C)s2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O4S2/c1-15-6-8-17(27-15)9-11-20(23)21-16-7-10-18(26-2)19(14-16)28(24,25)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23)/b11-9+
InChIKeyXETVKZPXKKTJJY-PKNBQFBNSA-N
MW420.56 g/mol
LogP3.89
Rot. Bonds6

About (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide

(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (PubChem CID 9427956) has the molecular formula C20H24N2O4S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
PubChem CID9427956
Molecular FormulaC20H24N2O4S2
Molecular Weight420.56 g/mol
Exact Mass420.12
IUPAC Name(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc(C)s2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O4S2/c1-15-6-8-17(27-15)9-11-20(23)21-16-7-10-18(26-2)19(14-16)28(24,25)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23)/b11-9+
InChIKeyXETVKZPXKKTJJY-PKNBQFBNSA-N
XLogP3.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.89
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

(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide
CID 6212937
(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 9474157
(E)-3-(5-bromothiophen-2-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 26174381
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 75460082
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4291998
(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-phenylprop-2-enamide
CID 2598603
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4798388
N-(3-bromophenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4801360
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
CID 4803267
(E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 15945387

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide (CID 9427956) is (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc(C)s2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
The InChIKey is XETVKZPXKKTJJY-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H24N2O4S2/c1-15-6-8-17(27-15)9-11-20(23)21-16-7-10-18(26-2)19(14-16)28(24,25)22-12-4-3-5-13-22/h6-11,14H,3-5,12-13H2,1-2H3,(H,21,23)/b11-9+.
What are the key properties of (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide?
(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide has a molecular weight of 420.56 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 9427956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).