tert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate

C16H25N5O4S — CID 46344407

IUPACtert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate
SMILESCC(C)NS(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H25N5O4S/c1-11(2)19-26(23,24)12-6-7-14-13(10-12)18-20-21(14)9-8-17-15(22)25-16(3,4)5/h6-7,10-11,19H,8-9H2,1-5H3,(H,17,22)
InChIKeyFFJOFJUOJIEBBB-UHFFFAOYSA-N
MW383.47 g/mol
LogP1.64
Rot. Bonds6

About tert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate

tert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate (PubChem CID 46344407) has the molecular formula C16H25N5O4S and a molecular weight of 383.47 g/mol. Its IUPAC name is tert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate
PubChem CID46344407
Molecular FormulaC16H25N5O4S
Molecular Weight383.47 g/mol
Exact Mass383.16
IUPAC Nametert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate
SMILESCC(C)NS(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)OC(C)(C)C
InChIInChI=1S/C16H25N5O4S/c1-11(2)19-26(23,24)12-6-7-14-13(10-12)18-20-21(14)9-8-17-15(22)25-16(3,4)5/h6-7,10-11,19H,8-9H2,1-5H3,(H,17,22)
InChIKeyFFJOFJUOJIEBBB-UHFFFAOYSA-N
XLogP1.64
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]urea
CID 53110985
1-(3-methylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]urea
CID 53110994
1-(5-chloro-2-methylphenyl)-3-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]urea
CID 53110987
methyl 5-bromo-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazole-4-carboxylate
CID 147324568
1-[2-(phenylcarbamoylamino)ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121084
benzotriazol-1-ylmethanol;tert-butyl N-(benzotriazol-1-ylmethyl)carbamate;tert-butyl carbamate
CID 159300973
1-(4-chlorophenyl)-3-[2-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)ethyl]urea
CID 53110852
1-[(3-methoxyphenyl)methyl]-3-[2-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)ethyl]urea
CID 53110881
1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 50787460
N-[2-(azepan-1-yl)ethyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide
CID 46330210
dimethyl 2-[2-[5-(diethylsulfamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzene-1,4-dicarboxylate
CID 53085095
tert-butyl N-[2-(3-iodoindazol-1-yl)ethyl]carbamate
CID 138461102

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate (CID 46344407) is tert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate is CC(C)NS(=O)(=O)c1ccc2c(c1)nnn2CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate?
The InChIKey is FFJOFJUOJIEBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4S/c1-11(2)19-26(23,24)12-6-7-14-13(10-12)18-20-21(14)9-8-17-15(22)25-16(3,4)5/h6-7,10-11,19H,8-9H2,1-5H3,(H,17,22).
What are the key properties of tert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate?
tert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate has a molecular weight of 383.47 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-(propan-2-ylsulfamoyl)benzotriazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 46344407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).