9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate

C26H26N2O5S — CID 102211054

IUPAC9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate
SMILESCC(=O)NS(=O)(=O)C[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O5S/c1-18(29)28-34(31,32)17-20(15-19-9-3-2-4-10-19)27-26(30)33-16-25-23-13-7-5-11-21(23)22-12-6-8-14-24(22)25/h2-14,20,25H,15-17H2,1H3,(H,27,30)(H,28,29)/t20-/m0/s1
InChIKeyMKNAMFSUYDJTNG-FQEVSTJZSA-N
MW478.57 g/mol
LogP3.60
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate (PubChem CID 102211054) has the molecular formula C26H26N2O5S and a molecular weight of 478.57 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate
PubChem CID102211054
Molecular FormulaC26H26N2O5S
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate
SMILESCC(=O)NS(=O)(=O)C[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H26N2O5S/c1-18(29)28-34(31,32)17-20(15-19-9-3-2-4-10-19)27-26(30)33-16-25-23-13-7-5-11-21(23)22-12-6-8-14-24(22)25/h2-14,20,25H,15-17H2,1H3,(H,27,30)(H,28,29)/t20-/m0/s1
InChIKeyMKNAMFSUYDJTNG-FQEVSTJZSA-N
XLogP3.60
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-5-phenylpentanoic acid
CID 118431285
ethane;9H-fluoren-9-ylmethyl N-(3-oxo-1-phenylbutan-2-yl)carbamate
CID 172641438
(3S)-4-(cyclobutylsulfamoyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 129204756
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 59063219
9H-fluoren-9-ylmethyl N-[(2S)-4-[methoxy(methyl)amino]-4-oxo-1-phenylbutan-2-yl]carbamate
CID 11091521
9H-fluoren-9-ylmethyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate
CID 2451967
9H-fluoren-9-ylmethyl N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 58868035
(2S)-2-deuterio-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoic acid
CID 24773494
amino (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 174627656
9H-fluoren-9-ylmethyl N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 163290440
9H-fluoren-9-ylmethyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 10938917
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(methanesulfonamido)phenyl]propanoic acid
CID 53487140

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate (CID 102211054) is 9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate is CC(=O)NS(=O)(=O)C[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate?
The InChIKey is MKNAMFSUYDJTNG-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H26N2O5S/c1-18(29)28-34(31,32)17-20(15-19-9-3-2-4-10-19)27-26(30)33-16-25-23-13-7-5-11-21(23)22-12-6-8-14-24(22)25/h2-14,20,25H,15-17H2,1H3,(H,27,30)(H,28,29)/t20-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate has a molecular weight of 478.57 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S)-1-(acetylsulfamoyl)-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 102211054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).