N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide

C18H26N2O4S — CID 95163333

IUPACN-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](OCCC)C2)c1
InChIInChI=1S/C18H26N2O4S/c1-3-10-19-18(21)15-7-5-9-17(13-15)25(22,23)20-11-6-8-16(14-20)24-12-4-2/h3,5,7,9,13,16H,1,4,6,8,10-12,14H2,2H3,(H,19,21)/t16-/m1/s1
InChIKeyXAYKZSWKLFGNFY-MRXNPFEDSA-N
MW366.48 g/mol
LogP2.18
Rot. Bonds8

About N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide

N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide (PubChem CID 95163333) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide
PubChem CID95163333
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](OCCC)C2)c1
InChIInChI=1S/C18H26N2O4S/c1-3-10-19-18(21)15-7-5-9-17(13-15)25(22,23)20-11-6-8-16(14-20)24-12-4-2/h3,5,7,9,13,16H,1,4,6,8,10-12,14H2,2H3,(H,19,21)/t16-/m1/s1
InChIKeyXAYKZSWKLFGNFY-MRXNPFEDSA-N
XLogP2.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 109062420
3-morpholin-4-ylsulfonyl-N-prop-2-enylbenzamide
CID 2711286
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
3-[2-(2-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 86886098
1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine
CID 42844226
3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 51121166
3-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]sulfonyl-N-prop-2-enylbenzamide;hydrochloride
CID 120766363
3-(4-benzyl-3,3-dimethylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 86892603
3-(3-methoxypiperidin-1-yl)sulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872388
3-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)benzamide
CID 38704329
N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109063050
N-prop-2-enyl-3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzamide
CID 55915923

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide?
The IUPAC name of N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide (CID 95163333) is N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](OCCC)C2)c1.
What is the InChIKey of N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide?
The InChIKey is XAYKZSWKLFGNFY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-3-10-19-18(21)15-7-5-9-17(13-15)25(22,23)20-11-6-8-16(14-20)24-12-4-2/h3,5,7,9,13,16H,1,4,6,8,10-12,14H2,2H3,(H,19,21)/t16-/m1/s1.
What are the key properties of N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide?
N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide has a molecular weight of 366.48 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-3-[(3R)-3-propoxypiperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 95163333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).