3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate

C15H24N2O5S — CID 90839007

IUPAC3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate
SMILESCOc1ccc(S(=O)(=O)NCCCOC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O5S/c1-15(2,3)17-14(18)22-11-5-10-16-23(19,20)13-8-6-12(21-4)7-9-13/h6-9,16H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyYMBIPMMEBUXGIU-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.89
Rot. Bonds7

About 3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate

3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate (PubChem CID 90839007) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate
PubChem CID90839007
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate
SMILESCOc1ccc(S(=O)(=O)NCCCOC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H24N2O5S/c1-15(2,3)17-14(18)22-11-5-10-16-23(19,20)13-8-6-12(21-4)7-9-13/h6-9,16H,5,10-11H2,1-4H3,(H,17,18)
InChIKeyYMBIPMMEBUXGIU-UHFFFAOYSA-N
XLogP1.89
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
butyl N-(4-methoxyphenyl)sulfonylcarbamate
CID 132577582
4-methoxy-N-(3-sulfanylpropyl)benzenesulfonamide
CID 15895607
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
N-(2-amino-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 115303620
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylsulfamoyl)benzamide
CID 109059892
N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 65112797
4-methoxy-N-pent-4-ynylbenzenesulfonamide
CID 103698076
3-[(4-methoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 17192561
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-(3-butoxypropyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192698

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate?
The IUPAC name of 3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate (CID 90839007) is 3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate.
What is the SMILES notation for 3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate?
The canonical SMILES for 3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate is COc1ccc(S(=O)(=O)NCCCOC(=O)NC(C)(C)C)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate?
The InChIKey is YMBIPMMEBUXGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-15(2,3)17-14(18)22-11-5-10-16-23(19,20)13-8-6-12(21-4)7-9-13/h6-9,16H,5,10-11H2,1-4H3,(H,17,18).
What are the key properties of 3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate?
3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate has a molecular weight of 344.43 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)sulfonylamino]propyl N-tert-butylcarbamate is sourced from PubChem (CID 90839007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).