tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate

C16H19FN2O2S — CID 107241001

IUPACtert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(NCc2cccs2)c1
InChIInChI=1S/C16H19FN2O2S/c1-16(2,3)21-15(20)19-11-6-7-13(17)14(9-11)18-10-12-5-4-8-22-12/h4-9,18H,10H2,1-3H3,(H,19,20)
InChIKeyIHDVNHZFNUQSEG-UHFFFAOYSA-N
MW322.40 g/mol
LogP4.85
Rot. Bonds4

About tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate

tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate (PubChem CID 107241001) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate
PubChem CID107241001
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Nametert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(NCc2cccs2)c1
InChIInChI=1S/C16H19FN2O2S/c1-16(2,3)21-15(20)19-11-6-7-13(17)14(9-11)18-10-12-5-4-8-22-12/h4-9,18H,10H2,1-3H3,(H,19,20)
InChIKeyIHDVNHZFNUQSEG-UHFFFAOYSA-N
XLogP4.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-fluoro-3-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 107241037
tert-butyl N-[4-fluoro-3-(pyridin-4-ylmethylamino)phenyl]carbamate
CID 107240932
tert-butyl N-[3-[(3-aminothiophen-2-yl)methylamino]-4-fluorophenyl]carbamate
CID 107241046
tert-butyl N-[4-fluoro-3-[(3-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107241015
tert-butyl N-[4-fluoro-3-(pyrimidin-4-ylmethylamino)phenyl]carbamate
CID 107240915
tert-butyl N-[4-fluoro-3-(heptylamino)phenyl]carbamate
CID 107241007
N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 43739569
tert-butyl N-[2-fluoro-5-(furan-2-ylmethylamino)phenyl]carbamate
CID 107240685
tert-butyl N-[3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorophenyl]carbamate
CID 107442927
tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
CID 107240581
tert-butyl N-[2-(thiophen-2-ylmethylamino)ethyl]carbamate
CID 71214616
tert-butyl N-[4-fluoro-3-[1-(furan-2-yl)ethylamino]phenyl]carbamate
CID 107240911

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate (CID 107241001) is tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(F)c(NCc2cccs2)c1.
What is the InChIKey of tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate?
The InChIKey is IHDVNHZFNUQSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-16(2,3)21-15(20)19-11-6-7-13(17)14(9-11)18-10-12-5-4-8-22-12/h4-9,18H,10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate?
tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate has a molecular weight of 322.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate is sourced from PubChem (CID 107241001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).