9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate

C24H21NO2S — CID 169468944

IUPAC9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccccc1S)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21NO2S/c26-24(25-15-7-9-17-8-1-6-14-23(17)28)27-16-22-20-12-4-2-10-18(20)19-11-3-5-13-21(19)22/h1-14,22,28H,15-16H2,(H,25,26)
InChIKeyQIPVPCXOINBRKU-UHFFFAOYSA-N
MW387.50 g/mol
LogP5.53
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate (PubChem CID 169468944) has the molecular formula C24H21NO2S and a molecular weight of 387.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
PubChem CID169468944
Molecular FormulaC24H21NO2S
Molecular Weight387.50 g/mol
Exact Mass387.13
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccccc1S)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H21NO2S/c26-24(25-15-7-9-17-8-1-6-14-23(17)28)27-16-22-20-12-4-2-10-18(20)19-11-3-5-13-21(19)22/h1-14,22,28H,15-16H2,(H,25,26)
InChIKeyQIPVPCXOINBRKU-UHFFFAOYSA-N
XLogP5.53
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469141
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)prop-2-enyl]carbamate
CID 169469103
9H-fluoren-9-ylmethyl N-[3-[3-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470062
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(2-fluoro-3-pyridinyl)prop-2-enyl]carbamate
CID 169469006
9H-fluoren-9-ylmethyl N-[3-(3-bromo-2-fluorophenyl)prop-2-enyl]carbamate
CID 169470824
9H-fluoren-9-ylmethyl N-[3-(2,6-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169469119
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-3-hydroxybenzoic acid
CID 169469890
5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2,4-dihydroxybenzoic acid
CID 169470064
9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate
CID 169469509
9H-fluoren-9-ylmethyl N-[3-(2-formyl-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469390

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate (CID 169468944) is 9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccccc1S)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate?
The InChIKey is QIPVPCXOINBRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2S/c26-24(25-15-7-9-17-8-1-6-14-23(17)28)27-16-22-20-12-4-2-10-18(20)19-11-3-5-13-21(19)22/h1-14,22,28H,15-16H2,(H,25,26).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate has a molecular weight of 387.50 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2-sulfanylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169468944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).