2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide

C30H26N2O2S — CID 139709980

IUPAC2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide
SMILESO=C(CC1c2ccccc2-c2ccccc21)Nc1ccc(C(=O)N2CCCCc3sccc32)cc1
InChIInChI=1S/C30H26N2O2S/c33-29(19-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26)31-21-14-12-20(13-15-21)30(34)32-17-6-5-11-28-27(32)16-18-35-28/h1-4,7-10,12-16,18,26H,5-6,11,17,19H2,(H,31,33)
InChIKeyYSQAZQXDTBPRKP-UHFFFAOYSA-N
MW478.62 g/mol
LogP6.87
Rot. Bonds4

About 2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide

2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide (PubChem CID 139709980) has the molecular formula C30H26N2O2S and a molecular weight of 478.62 g/mol. Its IUPAC name is 2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide
PubChem CID139709980
Molecular FormulaC30H26N2O2S
Molecular Weight478.62 g/mol
Exact Mass478.17
IUPAC Name2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide
SMILESO=C(CC1c2ccccc2-c2ccccc21)Nc1ccc(C(=O)N2CCCCc3sccc32)cc1
InChIInChI=1S/C30H26N2O2S/c33-29(19-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26)31-21-14-12-20(13-15-21)30(34)32-17-6-5-11-28-27(32)16-18-35-28/h1-4,7-10,12-16,18,26H,5-6,11,17,19H2,(H,31,33)
InChIKeyYSQAZQXDTBPRKP-UHFFFAOYSA-N
XLogP6.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.62
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(9H-fluoren-9-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-(furan-2-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide
CID 139785119
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
4-hydroxy-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
CID 139709992
2-(2-amino-2-oxoethoxy)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
CID 139709947
2-(cyclohexylamino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 19608252
2-(2-chlorophenyl)-N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]acetamide
CID 67625377
[4-(3-methylbutoxy)phenyl]-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-yl)methanone
CID 54386957
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119761289
2-phenyl-N-[2-[2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethoxy]-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
CID 139750505
ethane;[2-methyl-4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]methyl 4-(cyclopropylmethyl)piperazine-1-carboxylate
CID 142213337
2-(4-methylanilino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 19608007

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide (CID 139709980) is 2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide is O=C(CC1c2ccccc2-c2ccccc21)Nc1ccc(C(=O)N2CCCCc3sccc32)cc1.
What is the InChIKey of 2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide?
The InChIKey is YSQAZQXDTBPRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O2S/c33-29(19-26-24-9-3-1-7-22(24)23-8-2-4-10-25(23)26)31-21-14-12-20(13-15-21)30(34)32-17-6-5-11-28-27(32)16-18-35-28/h1-4,7-10,12-16,18,26H,5-6,11,17,19H2,(H,31,33).
What are the key properties of 2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide?
2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide has a molecular weight of 478.62 g/mol, XLogP of 6.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-yl)-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 139709980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).