tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate

C19H29N3O5S — CID 55702798

IUPACtert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C19H29N3O5S/c1-14(23)21-15-6-10-17(11-7-15)28(25,26)20-12-5-13-22(16-8-9-16)18(24)27-19(2,3)4/h6-7,10-11,16,20H,5,8-9,12-13H2,1-4H3,(H,21,23)
InChIKeyVJOAQFXRZZIKDH-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.71
Rot. Bonds8

About tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate

tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate (PubChem CID 55702798) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate
PubChem CID55702798
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC Nametert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)cc1
InChIInChI=1S/C19H29N3O5S/c1-14(23)21-15-6-10-17(11-7-15)28(25,26)20-12-5-13-22(16-8-9-16)18(24)27-19(2,3)4/h6-7,10-11,16,20H,5,8-9,12-13H2,1-4H3,(H,21,23)
InChIKeyVJOAQFXRZZIKDH-UHFFFAOYSA-N
XLogP2.71
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.71
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

tert-butyl N-cyclopropyl-N-[3-[(2,4-difluorophenyl)sulfonylamino]propyl]carbamate
CID 55702797
N-[4-[2-[acetyl(cyclopentyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113052884
N-[4-[2-[cyclopropyl(methylsulfonyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113065192
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
N-cyclopropyl-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113052187
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404
N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide
CID 103756998
N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
CID 107849118
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
N-[4-[3-[dimethoxy(methyl)silyl]propylsulfamoyl]phenyl]acetamide
CID 58129736
tert-butyl N-[3-(benzenesulfonyl)propyl]-N-cyclohexylcarbamate
CID 19593183

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate (CID 55702798) is tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate is CC(=O)Nc1ccc(S(=O)(=O)NCCCN(C(=O)OC(C)(C)C)C2CC2)cc1.
What is the InChIKey of tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate?
The InChIKey is VJOAQFXRZZIKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-14(23)21-15-6-10-17(11-7-15)28(25,26)20-12-5-13-22(16-8-9-16)18(24)27-19(2,3)4/h6-7,10-11,16,20H,5,8-9,12-13H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate?
tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate has a molecular weight of 411.52 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-acetamidophenyl)sulfonylamino]propyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 55702798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).