N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide

C20H17N3O5S2 — CID 89238723

IUPACN-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide
SMILESC=CC(=O)Nc1cc2c(s1)CN(S(=O)(=O)c1ccc(NC(=O)c3ccco3)cc1)C2
InChIInChI=1S/C20H17N3O5S2/c1-2-18(24)22-19-10-13-11-23(12-17(13)29-19)30(26,27)15-7-5-14(6-8-15)21-20(25)16-4-3-9-28-16/h2-10H,1,11-12H2,(H,21,25)(H,22,24)
InChIKeyQBCRHOOCXPKZPD-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.42
Rot. Bonds6

About N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide

N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide (PubChem CID 89238723) has the molecular formula C20H17N3O5S2 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide
PubChem CID89238723
Molecular FormulaC20H17N3O5S2
Molecular Weight443.51 g/mol
Exact Mass443.06
IUPAC NameN-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide
SMILESC=CC(=O)Nc1cc2c(s1)CN(S(=O)(=O)c1ccc(NC(=O)c3ccco3)cc1)C2
InChIInChI=1S/C20H17N3O5S2/c1-2-18(24)22-19-10-13-11-23(12-17(13)29-19)30(26,27)15-7-5-14(6-8-15)21-20(25)16-4-3-9-28-16/h2-10H,1,11-12H2,(H,21,25)(H,22,24)
InChIKeyQBCRHOOCXPKZPD-UHFFFAOYSA-N
XLogP3.42
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(4-nitrophenyl)sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89237131
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-[4-[[6-(prop-2-enoylamino)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]phenyl]furan-2-carboxamide
CID 89237728
N-[4-[[5-(prop-2-enoylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]sulfonyl]phenyl]furan-2-carboxamide
CID 89238145
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-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]furan-2-carboxamide
CID 16930286
N-[3-methoxy-4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]-3-phenylpropanamide
CID 89237205
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
N-[5-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55509586
N-[5-(1-benzoylpiperidin-4-yl)sulfonyl-4,6-dihydrothieno[2,3-c]pyrrol-2-yl]prop-2-enamide
CID 89238317
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-(dimethylsulfamoyl)phenyl]furan-2-carboxamide
CID 2672857

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide (CID 89238723) is N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide is C=CC(=O)Nc1cc2c(s1)CN(S(=O)(=O)c1ccc(NC(=O)c3ccco3)cc1)C2.
What is the InChIKey of N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide?
The InChIKey is QBCRHOOCXPKZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5S2/c1-2-18(24)22-19-10-13-11-23(12-17(13)29-19)30(26,27)15-7-5-14(6-8-15)21-20(25)16-4-3-9-28-16/h2-10H,1,11-12H2,(H,21,25)(H,22,24).
What are the key properties of N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide?
N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(prop-2-enoylamino)-4,6-dihydrothieno[2,3-c]pyrrol-5-yl]sulfonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 89238723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).