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

C16H13N3O4S3 — CID 89238383

IUPACN-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(s1)CN(S(=O)(=O)c1ccc(-c3cnco3)s1)C2
InChIInChI=1S/C16H13N3O4S3/c1-2-14(20)18-15-5-10-7-19(8-13(10)24-15)26(21,22)16-4-3-12(25-16)11-6-17-9-23-11/h2-6,9H,1,7-8H2,(H,18,20)
InChIKeyYBWYFAFSDQMTIV-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.29
Rot. Bonds5

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

N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide (PubChem CID 89238383) has the molecular formula C16H13N3O4S3 and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[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-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide
PubChem CID89238383
Molecular FormulaC16H13N3O4S3
Molecular Weight407.50 g/mol
Exact Mass407.01
IUPAC NameN-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide
SMILESC=CC(=O)Nc1cc2c(s1)CN(S(=O)(=O)c1ccc(-c3cnco3)s1)C2
InChIInChI=1S/C16H13N3O4S3/c1-2-14(20)18-15-5-10-7-19(8-13(10)24-15)26(21,22)16-4-3-12(25-16)11-6-17-9-23-11/h2-6,9H,1,7-8H2,(H,18,20)
InChIKeyYBWYFAFSDQMTIV-UHFFFAOYSA-N
XLogP3.29
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.29
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-dihydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238440
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-[[1-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methyl]prop-2-enamide
CID 89236667
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89236682
N-[5-(4-nitrophenyl)sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89237131
N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide
CID 89238723
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-[1-[5-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylazepan-3-yl]prop-2-enamide
CID 89238361
1-[4-[methyl-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonylamino]phenyl]-3-phenylurea
CID 68650756
N-[[1-(5-phenylthiophen-2-yl)sulfonylpiperidin-4-yl]methyl]prop-2-enamide
CID 89238501
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-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238337

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[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-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide (CID 89238383) is N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[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-dihydrothieno[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-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide is C=CC(=O)Nc1cc2c(s1)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-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide?
The InChIKey is YBWYFAFSDQMTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S3/c1-2-14(20)18-15-5-10-7-19(8-13(10)24-15)26(21,22)16-4-3-12(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-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide?
N-[5-[5-(1,3-oxazol-5-yl)thiophen-2-yl]sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide has a molecular weight of 407.50 g/mol, XLogP of 3.29, 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-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide is sourced from PubChem (CID 89238383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).