tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate

C14H21FN2O4S2 — CID 146611530

IUPACtert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cc(F)c(S(N)(=O)=O)s1)C1CCC1
InChIInChI=1S/C14H21FN2O4S2/c1-14(2,3)21-13(18)17(9-5-4-6-9)8-10-7-11(15)12(22-10)23(16,19)20/h7,9H,4-6,8H2,1-3H3,(H2,16,19,20)
InChIKeyRJIHUAZERIMDQY-UHFFFAOYSA-N
MW364.46 g/mol
LogP2.82
Rot. Bonds4

About tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate

tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate (PubChem CID 146611530) has the molecular formula C14H21FN2O4S2 and a molecular weight of 364.46 g/mol. Its IUPAC name is tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate
PubChem CID146611530
Molecular FormulaC14H21FN2O4S2
Molecular Weight364.46 g/mol
Exact Mass364.09
IUPAC Nametert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N(Cc1cc(F)c(S(N)(=O)=O)s1)C1CCC1
InChIInChI=1S/C14H21FN2O4S2/c1-14(2,3)21-13(18)17(9-5-4-6-9)8-10-7-11(15)12(22-10)23(16,19)20/h7,9H,4-6,8H2,1-3H3,(H2,16,19,20)
InChIKeyRJIHUAZERIMDQY-UHFFFAOYSA-N
XLogP2.82
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[5-(S-amino-N-methylsulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
CID 163662881
tert-butyl (4R)-4-(difluoromethyl)-2-sulfamoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 146570608
tert-butyl N-cyclobutyl-N-[(4-fluorothiophen-2-yl)methyl]carbamate
CID 146570715
tert-butyl 4-(difluoromethyl)-2-sulfamoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 146570902
tert-butyl (4S)-4-(difluoromethyl)-2-sulfamoyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 146611396
tert-butyl N-[[5-(aminosulfonimidoyl)-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
CID 146611531
3-Fluoro-5-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-2-sulfinic acid
CID 146612125
tert-butyl N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]-N-methylcarbamate
CID 146612127
tert-butyl N-[(5-aminosulfanyl-4-fluorothiophen-2-yl)methyl]-N-cyclobutylcarbamate
CID 153590267
tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-cyclobutylcarbamate
CID 167348394
tert-butyl N-[[5-[S-amino-N-[tert-butyl(dimethyl)silyl]sulfonimidoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate
CID 167348401
tert-butyl N-[[5-[[tert-butyl(dimethyl)silyl]sulfamoyl]-4-fluorothiophen-2-yl]methyl]-N-methylcarbamate
CID 174041562

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate (CID 146611530) is tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate is CC(C)(C)OC(=O)N(Cc1cc(F)c(S(N)(=O)=O)s1)C1CCC1.
What is the InChIKey of tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate?
The InChIKey is RJIHUAZERIMDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S2/c1-14(2,3)21-13(18)17(9-5-4-6-9)8-10-7-11(15)12(22-10)23(16,19)20/h7,9H,4-6,8H2,1-3H3,(H2,16,19,20).
What are the key properties of tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate?
tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate has a molecular weight of 364.46 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclobutyl-N-[(4-fluoro-5-sulfamoylthiophen-2-yl)methyl]carbamate is sourced from PubChem (CID 146611530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).