[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid

C24H23NO3S — CID 118954291

IUPAC[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid
SMILESCC(CC1c2ccccc2-c2ccccc21)(NC(=O)O)C1OCCc2ccsc21
InChIInChI=1S/C24H23NO3S/c1-24(25-23(26)27,22-21-15(10-12-28-22)11-13-29-21)14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,11,13,20,22,25H,10,12,14H2,1H3,(H,26,27)
InChIKeyHBOGUIALMACLON-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.59
Rot. Bonds4

About [2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid

[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid (PubChem CID 118954291) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is [2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid
PubChem CID118954291
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC Name[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid
SMILESCC(CC1c2ccccc2-c2ccccc21)(NC(=O)O)C1OCCc2ccsc21
InChIInChI=1S/C24H23NO3S/c1-24(25-23(26)27,22-21-15(10-12-28-22)11-13-29-21)14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,11,13,20,22,25H,10,12,14H2,1H3,(H,26,27)
InChIKeyHBOGUIALMACLON-UHFFFAOYSA-N
XLogP5.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-[(1S)-1-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]ethyl]carbamate
CID 123872102
dimethyl 2-(3,4-dihydro-1H-isochromen-1-yl)-2-methylpropanedioate
CID 102178177
[(7S)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]methanamine;2,2,2-trifluoroacetic acid
CID 146099067
methyl 2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-2-methylpropanoate
CID 132595611
tert-butyl N-[2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methylpropyl]carbamate
CID 102556388
1-(3,4-dihydro-1H-isochromen-1-yl)-2,2-dimethylpropan-1-one
CID 105098669
2-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788898
N-(1-anilino-2-methyl-1-oxopropan-2-yl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 75431245
2-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 119199061
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide
CID 99813507
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119524618
9-(2,2-dimethylpropyl)-9H-fluorene;ethane
CID 145284479

Frequently Asked Questions

What is the IUPAC name of [2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid?
The IUPAC name of [2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid (CID 118954291) is [2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for [2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid?
The canonical SMILES for [2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid is CC(CC1c2ccccc2-c2ccccc21)(NC(=O)O)C1OCCc2ccsc21.
What is the InChIKey of [2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid?
The InChIKey is HBOGUIALMACLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-24(25-23(26)27,22-21-15(10-12-28-22)11-13-29-21)14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,11,13,20,22,25H,10,12,14H2,1H3,(H,26,27).
What are the key properties of [2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid?
[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid has a molecular weight of 405.52 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-1-(9H-fluoren-9-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 118954291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).