tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate

C20H23FN2O4S — CID 55968162

IUPACtert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate
SMILESCOc1ccc(SCC(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-20(2,3)27-19(25)23-17-11-13(5-10-16(17)21)22-18(24)12-28-15-8-6-14(26-4)7-9-15/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyBGJNQBZICWHTHI-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.91
Rot. Bonds6

About tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate

tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate (PubChem CID 55968162) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate
PubChem CID55968162
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Nametert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate
SMILESCOc1ccc(SCC(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-20(2,3)27-19(25)23-17-11-13(5-10-16(17)21)22-18(24)12-28-15-8-6-14(26-4)7-9-15/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyBGJNQBZICWHTHI-UHFFFAOYSA-N
XLogP4.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]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-[5-[(2-cyanoacetyl)amino]-2-fluorophenyl]carbamate
CID 168521828
tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
CID 107240581
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
tert-butyl N-[2-fluoro-5-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]carbamate
CID 55969183
tert-butyl N-[2-fluoro-5-(prop-2-ynylamino)phenyl]carbamate
CID 107240618
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 3728936
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
tert-butyl N-[5-[[2-(3-acetylphenoxy)acetyl]amino]-2-fluorophenyl]carbamate
CID 55968285
tert-butyl N-[4-fluoro-3-[(4-methylsulfanylbenzoyl)amino]phenyl]carbamate
CID 78865639
tert-butyl N-[3-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-fluorophenyl]carbamate
CID 78861114
tert-butyl N-[2-fluoro-5-[3-(3-fluorophenyl)propanoylamino]phenyl]carbamate
CID 78885273
N-(3-bromophenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7765787

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate (CID 55968162) is tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate is COc1ccc(SCC(=O)Nc2ccc(F)c(NC(=O)OC(C)(C)C)c2)cc1.
What is the InChIKey of tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate?
The InChIKey is BGJNQBZICWHTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-20(2,3)27-19(25)23-17-11-13(5-10-16(17)21)22-18(24)12-28-15-8-6-14(26-4)7-9-15/h5-11H,12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate?
tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate has a molecular weight of 406.48 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]phenyl]carbamate is sourced from PubChem (CID 55968162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).