N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide

C17H23N3O4S — CID 166420720

IUPACN-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)N1CCC(S(=O)(=O)NCC)C1
InChIInChI=1S/C17H23N3O4S/c1-3-16(21)19-15-8-6-5-7-13(15)11-17(22)20-10-9-14(12-20)25(23,24)18-4-2/h3,5-8,14,18H,1,4,9-12H2,2H3,(H,19,21)
InChIKeyMONDMHVFDCQABP-UHFFFAOYSA-N
MW365.46 g/mol
LogP0.89
Rot. Bonds7

About N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide

N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 166420720) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID166420720
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)N1CCC(S(=O)(=O)NCC)C1
InChIInChI=1S/C17H23N3O4S/c1-3-16(21)19-15-8-6-5-7-13(15)11-17(22)20-10-9-14(12-20)25(23,24)18-4-2/h3,5-8,14,18H,1,4,9-12H2,2H3,(H,19,21)
InChIKeyMONDMHVFDCQABP-UHFFFAOYSA-N
XLogP0.89
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide
CID 166420866
N-[2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420879
(3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide
CID 97158472
N-[2-[2-(1,3-oxazinan-3-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166420101
2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide
CID 166420856
N-ethyl-1-(3-thiophen-3-ylpropanoyl)pyrrolidine-3-sulfonamide
CID 75440596
N,N-dimethyl-1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 166420126
N-[2-[2-oxo-2-(2-oxo-1,8-diazaspiro[4.5]decan-8-yl)ethyl]phenyl]prop-2-enamide
CID 166420099
1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone
CID 90584610
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
N-[2-[2-[3-(cyclobutylmethyl)morpholin-4-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 167763725
N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide
CID 139011765

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide (CID 166420720) is N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1CC(=O)N1CCC(S(=O)(=O)NCC)C1.
What is the InChIKey of N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is MONDMHVFDCQABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-3-16(21)19-15-8-6-5-7-13(15)11-17(22)20-10-9-14(12-20)25(23,24)18-4-2/h3,5-8,14,18H,1,4,9-12H2,2H3,(H,19,21).
What are the key properties of N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide?
N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 365.46 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).