N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide

C20H24N4O4S — CID 89236888

IUPACN-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1(C)CCN(S(=O)(=O)c2cccc(Oc3cncc(C)n3)c2)CC1
InChIInChI=1S/C20H24N4O4S/c1-4-18(25)23-20(3)8-10-24(11-9-20)29(26,27)17-7-5-6-16(12-17)28-19-14-21-13-15(2)22-19/h4-7,12-14H,1,8-11H2,2-3H3,(H,23,25)
InChIKeyMAHRRFDKRLGXFT-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.42
Rot. Bonds6

About N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide

N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide (PubChem CID 89236888) has the molecular formula C20H24N4O4S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide
PubChem CID89236888
Molecular FormulaC20H24N4O4S
Molecular Weight416.50 g/mol
Exact Mass416.15
IUPAC NameN-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1(C)CCN(S(=O)(=O)c2cccc(Oc3cncc(C)n3)c2)CC1
InChIInChI=1S/C20H24N4O4S/c1-4-18(25)23-20(3)8-10-24(11-9-20)29(26,27)17-7-5-6-16(12-17)28-19-14-21-13-15(2)22-19/h4-7,12-14H,1,8-11H2,2-3H3,(H,23,25)
InChIKeyMAHRRFDKRLGXFT-UHFFFAOYSA-N
XLogP2.42
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-3-azabicyclo[3.1.0]hexan-6-yl]prop-2-enamide
CID 89235902
N-[2,6-dimethyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89238967
N-[1-(1,3-benzothiazol-6-ylsulfonyl)-4-methylpiperidin-4-yl]prop-2-enamide
CID 89236543
N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238296
N-[4-methyl-1-[4-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89238146
N-[2-(4-methoxyphenyl)ethyl]-4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89237992
N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-1-benzofuran-2-carboxamide
CID 89236326
N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-3-naphthalen-1-ylpropanamide
CID 89236251
1-(3-methoxyphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 81264716
6-(3-methylsulfonylphenoxy)pyrazine-2-carboxylic acid
CID 66458475
N-methyl-4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonyl-N-(2-phenylethyl)benzamide
CID 89236020
N-[4-[4-methyl-4-(prop-2-enoylamino)piperidin-1-yl]sulfonylphenyl]-4-phenylthiophene-2-carboxamide
CID 89238001

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide (CID 89236888) is N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide is C=CC(=O)NC1(C)CCN(S(=O)(=O)c2cccc(Oc3cncc(C)n3)c2)CC1.
What is the InChIKey of N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
The InChIKey is MAHRRFDKRLGXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S/c1-4-18(25)23-20(3)8-10-24(11-9-20)29(26,27)17-7-5-6-16(12-17)28-19-14-21-13-15(2)22-19/h4-7,12-14H,1,8-11H2,2-3H3,(H,23,25).
What are the key properties of N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide?
N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide has a molecular weight of 416.50 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]sulfonylpiperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 89236888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).