N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide

C21H23N3O5S — CID 89237208

IUPACN-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1cccc(C(=O)N3CCCCC3)c1)C2
InChIInChI=1S/C21H23N3O5S/c1-2-19(25)22-20-12-16-13-24(14-18(16)29-20)30(27,28)17-8-6-7-15(11-17)21(26)23-9-4-3-5-10-23/h2,6-8,11-12H,1,3-5,9-10,13-14H2,(H,22,25)
InChIKeyZRLGPMMFYWSJBM-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.73
Rot. Bonds5

About N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide

N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (PubChem CID 89237208) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
PubChem CID89237208
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1cccc(C(=O)N3CCCCC3)c1)C2
InChIInChI=1S/C21H23N3O5S/c1-2-19(25)22-20-12-16-13-24(14-18(16)29-20)30(27,28)17-8-6-7-15(11-17)21(26)23-9-4-3-5-10-23/h2,6-8,11-12H,1,3-5,9-10,13-14H2,(H,22,25)
InChIKeyZRLGPMMFYWSJBM-UHFFFAOYSA-N
XLogP2.73
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.73
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

azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
N-[5-(4-cyclopentyloxyphenyl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89237448
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
[3-(azepan-1-ylsulfonyl)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24627712
N-[3-methyl-1-[3-(piperidine-1-carbonyl)phenyl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89238873
[2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid
CID 89238579
4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 89238027
N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 89236220
4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 109063117
N-[5-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)sulfonyl]-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238402
morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
[4-(ethylaminomethyl)piperidin-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 119647439

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The IUPAC name of N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (CID 89237208) is N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.
What is the SMILES notation for N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The canonical SMILES for N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide is C=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1cccc(C(=O)N3CCCCC3)c1)C2.
What is the InChIKey of N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The InChIKey is ZRLGPMMFYWSJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-2-19(25)22-20-12-16-13-24(14-18(16)29-20)30(27,28)17-8-6-7-15(11-17)21(26)23-9-4-3-5-10-23/h2,6-8,11-12H,1,3-5,9-10,13-14H2,(H,22,25).
What are the key properties of N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide has a molecular weight of 429.50 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 89237208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).