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

C16H13N3O5S2 — CID 89238440

IUPACN-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3cnco3)s1)C2
InChIInChI=1S/C16H13N3O5S2/c1-2-14(20)18-15-5-10-7-19(8-12(10)24-15)26(21,22)16-4-3-13(25-16)11-6-17-9-23-11/h2-6,9H,1,7-8H2,(H,18,20)
InChIKeyLFNXBLDWGBTEJA-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.83
Rot. Bonds5

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

N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (PubChem CID 89238440) has the molecular formula C16H13N3O5S2 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
PubChem CID89238440
Molecular FormulaC16H13N3O5S2
Molecular Weight391.43 g/mol
Exact Mass391.03
IUPAC NameN-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3cnco3)s1)C2
InChIInChI=1S/C16H13N3O5S2/c1-2-14(20)18-15-5-10-7-19(8-12(10)24-15)26(21,22)16-4-3-13(25-16)11-6-17-9-23-11/h2-6,9H,1,7-8H2,(H,18,20)
InChIKeyLFNXBLDWGBTEJA-UHFFFAOYSA-N
XLogP2.83
TPSA105.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238383
N-[[1-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methyl]prop-2-enamide
CID 89236667
N-[5-[5-(1,2-oxazol-5-yl)furan-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238764
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
N-[2,2,6,6-tetramethyl-1-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]prop-2-enamide
CID 89237216
N-[5-(4-cyclopentyloxyphenyl)sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89237448
N-[5-[3-(piperidine-1-carbonyl)phenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89237208
N-[5-[4-(6-methylpyrazin-2-yl)oxyphenyl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238296
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
[2-phenyl-1-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]ethyl]carbamic acid
CID 89238579
N-[5-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89236585
N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrofuro[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 89239056

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The IUPAC name of N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide (CID 89238440) is N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide.
What is the SMILES notation for N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The canonical SMILES for N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide is C=CC(=O)Nc1cc2c(o1)CN(S(=O)(=O)c1ccc(-c3cnco3)s1)C2.
What is the InChIKey of N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
The InChIKey is LFNXBLDWGBTEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5S2/c1-2-14(20)18-15-5-10-7-19(8-12(10)24-15)26(21,22)16-4-3-13(25-16)11-6-17-9-23-11/h2-6,9H,1,7-8H2,(H,18,20).
What are the key properties of N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide?
N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide has a molecular weight of 391.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 89238440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).