tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate

C15H20N4O5S2 — CID 10548997

IUPACtert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate
SMILESCN(CC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20N4O5S2/c1-15(2,3)24-14(21)19(4)8-12(20)17-9-5-6-10-11(7-9)25-13(18-10)26(16,22)23/h5-7H,8H2,1-4H3,(H,17,20)(H2,16,22,23)
InChIKeyZUBUKCRKGFPHTA-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.75
Rot. Bonds4

About tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate (PubChem CID 10548997) has the molecular formula C15H20N4O5S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate
PubChem CID10548997
Molecular FormulaC15H20N4O5S2
Molecular Weight400.48 g/mol
Exact Mass400.09
IUPAC Nametert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate
SMILESCN(CC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H20N4O5S2/c1-15(2,3)24-14(21)19(4)8-12(20)17-9-5-6-10-11(7-9)25-13(18-10)26(16,22)23/h5-7H,8H2,1-4H3,(H,17,20)(H2,16,22,23)
InChIKeyZUBUKCRKGFPHTA-UHFFFAOYSA-N
XLogP1.75
TPSA131.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-methylcarbamate
CID 56520607
2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-[2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethyl]amino]acetic acid
CID 10917951
methyl 4-[[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]benzoate
CID 139612587
tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate
CID 10808548
(2-sulfamoyl-1,3-benzothiazol-6-yl) propanoate
CID 54242448
2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)oxy]ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10837058
(2-sulfamoyl-1,3-benzothiazol-6-yl) 3-hydroxy-2,2-dimethylpropanoate
CID 54216091
2,2-dimethyl-N-(2-sulfamoyl-1,3-benzothiazol-5-yl)propanethioamide
CID 88725682
(2-sulfamoyl-1,3-benzothiazol-6-yl) acetate
CID 13236662
2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride
CID 119317982
2,2-dimethyl-N-[2-(2-methylpropylsulfonyl)-1,3-benzothiazol-6-yl]butanamide
CID 50840238
2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid
CID 11038734

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate (CID 10548997) is tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate is CN(CC(=O)Nc1ccc2nc(S(N)(=O)=O)sc2c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate?
The InChIKey is ZUBUKCRKGFPHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S2/c1-15(2,3)24-14(21)19(4)8-12(20)17-9-5-6-10-11(7-9)25-13(18-10)26(16,22)23/h5-7H,8H2,1-4H3,(H,17,20)(H2,16,22,23).
What are the key properties of tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate has a molecular weight of 400.48 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-oxo-2-[(2-sulfamoyl-1,3-benzothiazol-6-yl)amino]ethyl]carbamate is sourced from PubChem (CID 10548997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).