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

C21H24N2O4S — CID 71904110

IUPAC3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H24N2O4S/c1-27-19-11-8-17(9-12-19)10-13-21(24)22-18-6-5-7-20(16-18)28(25,26)23-14-3-2-4-15-23/h5-13,16H,2-4,14-15H2,1H3,(H,22,24)
InChIKeyPBGPYZWKLVMRKB-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.52
Rot. Bonds6

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

3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide (PubChem CID 71904110) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
PubChem CID71904110
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
SMILESCOc1ccc(C=CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H24N2O4S/c1-27-19-11-8-17(9-12-19)10-13-21(24)22-18-6-5-7-20(16-18)28(25,26)23-14-3-2-4-15-23/h5-13,16H,2-4,14-15H2,1H3,(H,22,24)
InChIKeyPBGPYZWKLVMRKB-UHFFFAOYSA-N
XLogP3.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.52
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)-3-(3-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926226
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 40627773
(E)-3-(4-methoxyphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1363250
(E)-3-phenyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926310
4-[(E)-3-[3-(azepan-1-ylsulfonyl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 55558580
3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 3646487
(E)-3-(2,3-dimethoxyphenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 8001993
(Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 75460407
(E)-3-(5-methylfuran-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 26592569
(E)-3-(3-piperidin-1-ylsulfonylphenyl)-N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 66872579
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42992018
5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 55905335

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide (CID 71904110) is 3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide is COc1ccc(C=CC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide?
The InChIKey is PBGPYZWKLVMRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-27-19-11-8-17(9-12-19)10-13-21(24)22-18-6-5-7-20(16-18)28(25,26)23-14-3-2-4-15-23/h5-13,16H,2-4,14-15H2,1H3,(H,22,24).
What are the key properties of 3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide?
3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide has a molecular weight of 400.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide is sourced from PubChem (CID 71904110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).