5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide

C15H13BrN2O3S — CID 658862

IUPAC5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)c3ccc(Br)o3)c2C#N)CO1
InChIInChI=1S/C15H13BrN2O3S/c1-15(2)5-8-9(6-17)14(22-11(8)7-20-15)18-13(19)10-3-4-12(16)21-10/h3-4H,5,7H2,1-2H3,(H,18,19)
InChIKeyFTRZPOPUBMWRNY-UHFFFAOYSA-N
MW381.25 g/mol
LogP4.08
Rot. Bonds2

About 5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide

5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide (PubChem CID 658862) has the molecular formula C15H13BrN2O3S and a molecular weight of 381.25 g/mol. Its IUPAC name is 5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide
PubChem CID658862
Molecular FormulaC15H13BrN2O3S
Molecular Weight381.25 g/mol
Exact Mass379.98
IUPAC Name5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide
SMILESCC1(C)Cc2c(sc(NC(=O)c3ccc(Br)o3)c2C#N)CO1
InChIInChI=1S/C15H13BrN2O3S/c1-15(2)5-8-9(6-17)14(22-11(8)7-20-15)18-13(19)10-3-4-12(16)21-10/h3-4H,5,7H2,1-2H3,(H,18,19)
InChIKeyFTRZPOPUBMWRNY-UHFFFAOYSA-N
XLogP4.08
TPSA75.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide with MolForge

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Related Compounds

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)furan-2-carboxamide
CID 902868
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-2-furamide
CID 793579
N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)furan-2-carboxamide
CID 661197
N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]furan-2-carboxamide
CID 2235821
Methyl 4-cyano-5-(2-furoylamino)-3-methyl-2-thiophenecarboxylate
CID 3150558
N-(3-cyano-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-2-furamide
CID 651143
Ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1100907
Methyl 2-[(5-bromo-2-furoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1272590
Ethyl 5-[(5-bromofuran-2-carbonyl)amino]-3-methylthiophene-2-carboxylate
CID 2361992
Ethyl 4-cyano-5-(2-furoylamino)-3-methylthiophene-2-carboxylate
CID 831978
Methyl 2-[(5-bromo-2-furoyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate
CID 1011410
Ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 1012529

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide (CID 658862) is 5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide is CC1(C)Cc2c(sc(NC(=O)c3ccc(Br)o3)c2C#N)CO1.
What is the InChIKey of 5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide?
The InChIKey is FTRZPOPUBMWRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3S/c1-15(2)5-8-9(6-17)14(22-11(8)7-20-15)18-13(19)10-3-4-12(16)21-10/h3-4H,5,7H2,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide?
5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide has a molecular weight of 381.25 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)furan-2-carboxamide is sourced from PubChem (CID 658862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).