(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide

C16H22N2O4S — CID 6212937

IUPAC(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H22N2O4S/c1-3-7-16(19)17-13-8-9-14(22-2)15(12-13)23(20,21)18-10-5-4-6-11-18/h3,7-9,12H,4-6,10-11H2,1-2H3,(H,17,19)/b7-3+
InChIKeyPFUMASKSCQYGNS-XVNBXDOJSA-N
MW338.43 g/mol
LogP2.38
Rot. Bonds5

About (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide

(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide (PubChem CID 6212937) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide
PubChem CID6212937
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide
SMILESC/C=C/C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H22N2O4S/c1-3-7-16(19)17-13-8-9-14(22-2)15(12-13)23(20,21)18-10-5-4-6-11-18/h3,7-9,12H,4-6,10-11H2,1-2H3,(H,17,19)/b7-3+
InChIKeyPFUMASKSCQYGNS-XVNBXDOJSA-N
XLogP2.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.38
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-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9427956
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 75460082
(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 9474157
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
CID 4803267
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4291998
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4798388
(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-phenylprop-2-enamide
CID 2598603
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
3,5-difluoro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 4874945
4-methoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7742149

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide?
The IUPAC name of (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide (CID 6212937) is (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide.
What is the SMILES notation for (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide?
The canonical SMILES for (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide is C/C=C/C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide?
The InChIKey is PFUMASKSCQYGNS-XVNBXDOJSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-3-7-16(19)17-13-8-9-14(22-2)15(12-13)23(20,21)18-10-5-4-6-11-18/h3,7-9,12H,4-6,10-11H2,1-2H3,(H,17,19)/b7-3+.
What are the key properties of (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide?
(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide has a molecular weight of 338.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide is sourced from PubChem (CID 6212937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).