propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate

C19H21FN2O5S — CID 70622668

IUPACpropan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O5S/c1-13(2)27-19(24)22-28(25,26)17-8-6-14(7-9-17)10-11-21-18(23)15-4-3-5-16(20)12-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyUZTHGKPRMQDEBB-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.62
Rot. Bonds7

About propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate

propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate (PubChem CID 70622668) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
PubChem CID70622668
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Namepropan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
SMILESCC(C)OC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O5S/c1-13(2)27-19(24)22-28(25,26)17-8-6-14(7-9-17)10-11-21-18(23)15-4-3-5-16(20)12-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyUZTHGKPRMQDEBB-UHFFFAOYSA-N
XLogP2.62
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
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propan-2-yl N-[4-[2-[(2-prop-2-enoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
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N-[2-(4-fluorophenyl)ethyl]-3-(2-methylpropylsulfamoyl)benzamide
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N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662715
[5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] propan-2-yl carbonate
CID 67749212
4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 29292702
N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
CID 59768002
3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 38502452
propan-2-yl 5-[[4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54411061

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate?
The IUPAC name of propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate (CID 70622668) is propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate.
What is the SMILES notation for propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate?
The canonical SMILES for propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate is CC(C)OC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate?
The InChIKey is UZTHGKPRMQDEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-13(2)27-19(24)22-28(25,26)17-8-6-14(7-9-17)10-11-21-18(23)15-4-3-5-16(20)12-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate?
propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate has a molecular weight of 408.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-[2-[(3-fluorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamate is sourced from PubChem (CID 70622668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).