tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate

C16H25N3O5S — CID 9188430

IUPACtert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate
SMILESCNS(=O)(=O)c1ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H25N3O5S/c1-16(2,3)24-15(21)18-11-5-6-14(20)19-12-7-9-13(10-8-12)25(22,23)17-4/h7-10,17H,5-6,11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyLJEVDPADNMTISX-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.84
Rot. Bonds7

About tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate

tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate (PubChem CID 9188430) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate
PubChem CID9188430
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Nametert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate
SMILESCNS(=O)(=O)c1ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H25N3O5S/c1-16(2,3)24-15(21)18-11-5-6-14(20)19-12-7-9-13(10-8-12)25(22,23)17-4/h7-10,17H,5-6,11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyLJEVDPADNMTISX-UHFFFAOYSA-N
XLogP1.84
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.84
H-Bond Donors ≤ 53
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-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate
CID 118707459
tert-butyl N-[3-[4-(methylsulfamoyl)anilino]propyl]carbamate
CID 103821850
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]benzoate
CID 9138835
tert-butyl N-[4-(4-methyl-3-sulfamoylanilino)-4-oxobutyl]carbamate
CID 55408911
tert-butyl N-[4-(3,4-dimethylanilino)-4-oxobutyl]carbamate
CID 9138446
3-(tert-butylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 60849933
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
tert-butyl N-[4-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-4-oxobutyl]carbamate
CID 55968838
N-[4-(methylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 9219640
N,N'-bis[4-(tert-butylsulfamoyl)phenyl]hexanediamide
CID 4992549
4-(4-methylphenoxy)-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 9219673
tert-butyl N-[4-(1,3-benzodioxol-5-ylamino)-4-oxobutyl]carbamate
CID 9138271

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate (CID 9188430) is tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate is CNS(=O)(=O)c1ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate?
The InChIKey is LJEVDPADNMTISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-16(2,3)24-15(21)18-11-5-6-14(20)19-12-7-9-13(10-8-12)25(22,23)17-4/h7-10,17H,5-6,11H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate?
tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate has a molecular weight of 371.46 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(methylsulfamoyl)anilino]-4-oxobutyl]carbamate is sourced from PubChem (CID 9188430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).