tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate

C17H24F2N2O4S — CID 55702797

IUPACtert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCNS(=O)(=O)c1ccc(F)cc1F)C1CC1
InChIInChI=1S/C17H24F2N2O4S/c1-17(2,3)25-16(22)21(13-6-7-13)10-4-9-20-26(23,24)15-8-5-12(18)11-14(15)19/h5,8,11,13,20H,4,6-7,9-10H2,1-3H3
InChIKeyMJIHCAVTEGYNPC-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.03
Rot. Bonds7

About tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate

tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate (PubChem CID 55702797) has the molecular formula C17H24F2N2O4S and a molecular weight of 390.45 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate
PubChem CID55702797
Molecular FormulaC17H24F2N2O4S
Molecular Weight390.45 g/mol
Exact Mass390.14
IUPAC Nametert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCCNS(=O)(=O)c1ccc(F)cc1F)C1CC1
InChIInChI=1S/C17H24F2N2O4S/c1-17(2,3)25-16(22)21(13-6-7-13)10-4-9-20-26(23,24)15-8-5-12(18)11-14(15)19/h5,8,11,13,20H,4,6-7,9-10H2,1-3H3
InChIKeyMJIHCAVTEGYNPC-UHFFFAOYSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate (CID 55702797) is tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate is CC(C)(C)OC(=O)N(CCCNS(=O)(=O)c1ccc(F)cc1F)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate?
The InChIKey is MJIHCAVTEGYNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O4S/c1-17(2,3)25-16(22)21(13-6-7-13)10-4-9-20-26(23,24)15-8-5-12(18)11-14(15)19/h5,8,11,13,20H,4,6-7,9-10H2,1-3H3.
What are the key properties of tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate?
tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate has a molecular weight of 390.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate is sourced from PubChem (CID 55702797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).