tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate

C17H25N3O5S — CID 168680586

IUPACtert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1CN1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C17H25N3O5S/c1-17(2,3)25-16(22)19-14-7-5-4-6-13(14)10-20-9-12(8-15(20)21)11-26(18,23)24/h4-7,12H,8-11H2,1-3H3,(H,19,22)(H2,18,23,24)
InChIKeyZOLZZPPTHMWFKT-UHFFFAOYSA-N
MW383.47 g/mol
LogP1.67
Rot. Bonds5

About tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate

tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate (PubChem CID 168680586) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate
PubChem CID168680586
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Nametert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1CN1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C17H25N3O5S/c1-17(2,3)25-16(22)19-14-7-5-4-6-13(14)10-20-9-12(8-15(20)21)11-26(18,23)24/h4-7,12H,8-11H2,1-3H3,(H,19,22)(H2,18,23,24)
InChIKeyZOLZZPPTHMWFKT-UHFFFAOYSA-N
XLogP1.67
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]phenyl]carbamate
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[1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
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tert-butyl 4-[2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]anilino]piperidine-1-carboxylate
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tert-butyl N-[2-[2-[(1R,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]phenyl]carbamate
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tert-butyl N-[2-[2-[(1S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]phenyl]carbamate
CID 98242135
tert-butyl N-[3-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]-4-methylphenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate (CID 168680586) is tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1CN1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate?
The InChIKey is ZOLZZPPTHMWFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c1-17(2,3)25-16(22)19-14-7-5-4-6-13(14)10-20-9-12(8-15(20)21)11-26(18,23)24/h4-7,12H,8-11H2,1-3H3,(H,19,22)(H2,18,23,24).
What are the key properties of tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate?
tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate has a molecular weight of 383.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]methyl]phenyl]carbamate is sourced from PubChem (CID 168680586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).