N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide

C18H23N3O4S — CID 176668321

IUPACN-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2cn(C)c3c(OC)cccc23)CC1
InChIInChI=1S/C18H23N3O4S/c1-4-17(22)19-13-8-10-21(11-9-13)26(23,24)16-12-20(2)18-14(16)6-5-7-15(18)25-3/h4-7,12-13H,1,8-11H2,2-3H3,(H,19,22)
InChIKeyJKRNWHMECVBHRY-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.64
Rot. Bonds5

About N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide

N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide (PubChem CID 176668321) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide
PubChem CID176668321
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(S(=O)(=O)c2cn(C)c3c(OC)cccc23)CC1
InChIInChI=1S/C18H23N3O4S/c1-4-17(22)19-13-8-10-21(11-9-13)26(23,24)16-12-20(2)18-14(16)6-5-7-15(18)25-3/h4-7,12-13H,1,8-11H2,2-3H3,(H,19,22)
InChIKeyJKRNWHMECVBHRY-UHFFFAOYSA-N
XLogP1.64
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-(7-bromo-1-methylindol-3-yl)sulfonylpiperidin-4-yl]carbamate
CID 176668297
N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide
CID 89237397
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 71449440
2-(4-fluorophenyl)-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559494
N-cyclopentyl-4-(2-methoxyphenyl)sulfonylpiperazine-1-carboxamide
CID 110811227
2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108560151
N-[1-(4-methoxy-3-methylphenyl)sulfonylazepan-3-yl]prop-2-enamide
CID 89238663
N-[5-(4-methoxy-3-methylphenyl)sulfonyl-5-azaspiro[3.5]nonan-8-yl]prop-2-enamide
CID 89238067
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108559506
2,3-dimethoxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46464711
N-cyclopropyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1093344
methyl 2-[4-[[2-acetamido-3-(2,3-dimethoxyphenyl)propanoyl]amino]piperidin-1-yl]sulfonylbenzoate
CID 3231798

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide (CID 176668321) is N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide is C=CC(=O)NC1CCN(S(=O)(=O)c2cn(C)c3c(OC)cccc23)CC1.
What is the InChIKey of N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide?
The InChIKey is JKRNWHMECVBHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-4-17(22)19-13-8-10-21(11-9-13)26(23,24)16-12-20(2)18-14(16)6-5-7-15(18)25-3/h4-7,12-13H,1,8-11H2,2-3H3,(H,19,22).
What are the key properties of N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide?
N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide has a molecular weight of 377.47 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-1-methylindol-3-yl)sulfonylpiperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 176668321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).