N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide

C19H26N2O4S — CID 91465825

IUPACN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)C=CC3CCCO3)cc2)CC1
InChIInChI=1S/C19H26N2O4S/c1-15-10-12-21(13-11-15)26(23,24)18-7-4-16(5-8-18)20-19(22)9-6-17-3-2-14-25-17/h4-9,15,17H,2-3,10-14H2,1H3,(H,20,22)
InChIKeyKAMYZILEKIYXDM-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.78
Rot. Bonds5

About N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide

N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide (PubChem CID 91465825) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide
PubChem CID91465825
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)C=CC3CCCO3)cc2)CC1
InChIInChI=1S/C19H26N2O4S/c1-15-10-12-21(13-11-15)26(23,24)18-7-4-16(5-8-18)20-19(22)9-6-17-3-2-14-25-17/h4-9,15,17H,2-3,10-14H2,1H3,(H,20,22)
InChIKeyKAMYZILEKIYXDM-UHFFFAOYSA-N
XLogP2.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.78
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

N-methyl-4-[(E)-3-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-3-oxoprop-1-enyl]benzamide
CID 55558522
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]octanamide
CID 4958592
4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
(1S)-2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 46738317
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ylacetamide
CID 1071220
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 17066641
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ium-4-ylacetamide
CID 7368663

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide (CID 91465825) is N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)C=CC3CCCO3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide?
The InChIKey is KAMYZILEKIYXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-15-10-12-21(13-11-15)26(23,24)18-7-4-16(5-8-18)20-19(22)9-6-17-3-2-14-25-17/h4-9,15,17H,2-3,10-14H2,1H3,(H,20,22).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide?
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide has a molecular weight of 378.49 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-3-(oxolan-2-yl)prop-2-enamide is sourced from PubChem (CID 91465825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).