2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide

C21H20N2O3S — CID 139785119

IUPAC2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide
SMILESO=C(Cc1ccco1)Nc1ccc(C(=O)N2CCCCc3sccc32)cc1
InChIInChI=1S/C21H20N2O3S/c24-20(14-17-4-3-12-26-17)22-16-8-6-15(7-9-16)21(25)23-11-2-1-5-19-18(23)10-13-27-19/h3-4,6-10,12-13H,1-2,5,11,14H2,(H,22,24)
InChIKeyOMEDWNKZQOVAHN-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.51
Rot. Bonds4

About 2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide

2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide (PubChem CID 139785119) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide
PubChem CID139785119
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide
SMILESO=C(Cc1ccco1)Nc1ccc(C(=O)N2CCCCc3sccc32)cc1
InChIInChI=1S/C21H20N2O3S/c24-20(14-17-4-3-12-26-17)22-16-8-6-15(7-9-16)21(25)23-11-2-1-5-19-18(23)10-13-27-19/h3-4,6-10,12-13H,1-2,5,11,14H2,(H,22,24)
InChIKeyOMEDWNKZQOVAHN-UHFFFAOYSA-N
XLogP4.51
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide with MolForge

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Related Compounds

2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide
CID 139709980
4-hydroxy-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
CID 139709992
phenyl(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone
CID 140983481
4-phenyl-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
CID 139710002
3-(furan-2-yl)-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]propanamide
CID 110303754
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]furan-2-carboxamide
CID 34818899
tert-butyl 4-[[2-methyl-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate
CID 69210112
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54843208
1-(furan-2-ylmethyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 2954454
ethane;[2-methyl-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]methyl 4-(cyclopropylmethyl)piperazine-1-carboxylate
CID 142213337
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 16834590

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide (CID 139785119) is 2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide is O=C(Cc1ccco1)Nc1ccc(C(=O)N2CCCCc3sccc32)cc1.
What is the InChIKey of 2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide?
The InChIKey is OMEDWNKZQOVAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c24-20(14-17-4-3-12-26-17)22-16-8-6-15(7-9-16)21(25)23-11-2-1-5-19-18(23)10-13-27-19/h3-4,6-10,12-13H,1-2,5,11,14H2,(H,22,24).
What are the key properties of 2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide?
2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 139785119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).