2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide

C18H26N2O4S — CID 172887558

IUPAC2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide
SMILESC=CC(=O)N1CCC(Oc2ccccc2NS(=O)(=O)CC(C)C)CC1
InChIInChI=1S/C18H26N2O4S/c1-4-18(21)20-11-9-15(10-12-20)24-17-8-6-5-7-16(17)19-25(22,23)13-14(2)3/h4-8,14-15,19H,1,9-13H2,2-3H3
InChIKeyOUTPMKLVZSASPT-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.64
Rot. Bonds7

About 2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide

2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide (PubChem CID 172887558) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide
PubChem CID172887558
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide
SMILESC=CC(=O)N1CCC(Oc2ccccc2NS(=O)(=O)CC(C)C)CC1
InChIInChI=1S/C18H26N2O4S/c1-4-18(21)20-11-9-15(10-12-20)24-17-8-6-5-7-16(17)19-25(22,23)13-14(2)3/h4-8,14-15,19H,1,9-13H2,2-3H3
InChIKeyOUTPMKLVZSASPT-UHFFFAOYSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.64
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

1-[(3-methylphenyl)methyl]-3-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]urea
CID 172887559
1-[4-[2-(4-chlorophenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587269
1-[4-[4-(2-methylsulfonylphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587085
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
1-[4-[3-(3-methylsulfonylphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587113
1-[3-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-3-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 172889138
1-[4-[2-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-2-methylpropan-1-one
CID 133282595
N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 146733338
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
N-(1-prop-2-enoylpiperidin-4-yl)ethanesulfonamide
CID 60949730
(1-prop-2-enoylpiperidin-4-yl) 4-methylbenzenesulfonate
CID 90303703
1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one
CID 149110974

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide (CID 172887558) is 2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide is C=CC(=O)N1CCC(Oc2ccccc2NS(=O)(=O)CC(C)C)CC1.
What is the InChIKey of 2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide?
The InChIKey is OUTPMKLVZSASPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-4-18(21)20-11-9-15(10-12-20)24-17-8-6-5-7-16(17)19-25(22,23)13-14(2)3/h4-8,14-15,19H,1,9-13H2,2-3H3.
What are the key properties of 2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide?
2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide has a molecular weight of 366.48 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]propane-1-sulfonamide is sourced from PubChem (CID 172887558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).