tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate

C20H23FN2O3S — CID 86930596

IUPACtert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate
SMILESCSCc1ccc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-20(2,3)26-19(25)22-15-9-10-16(21)17(11-15)23-18(24)14-7-5-13(6-8-14)12-27-4/h5-11H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyGLIFNCVYZNJBFU-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.29
Rot. Bonds5

About tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate

tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate (PubChem CID 86930596) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate
PubChem CID86930596
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Nametert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate
SMILESCSCc1ccc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc1
InChIInChI=1S/C20H23FN2O3S/c1-20(2,3)26-19(25)22-15-9-10-16(21)17(11-15)23-18(24)14-7-5-13(6-8-14)12-27-4/h5-11H,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyGLIFNCVYZNJBFU-UHFFFAOYSA-N
XLogP5.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-fluoro-3-[(4-methylsulfanylbenzoyl)amino]phenyl]carbamate
CID 78865639
tert-butyl N-[3-[[3,4-bis(trifluoromethyl)benzoyl]amino]-4-fluorophenyl]carbamate
CID 137353813
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
tert-butyl N-[4-fluoro-3-[[4-methyl-3-(trifluoromethyl)benzoyl]amino]phenyl]carbamate
CID 137353546
tert-butyl N-[3-[(4-ethoxy-3-methylbenzoyl)amino]-4-fluorophenyl]carbamate
CID 86938109
tert-butyl N-[4-fluoro-3-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]phenyl]carbamate
CID 166186575
tert-butyl N-[5-[(3-acetamidobenzoyl)amino]-2-fluorophenyl]carbamate
CID 55768268
tert-butyl N-[4-fluoro-3-[(3-methylsulfonylbenzoyl)amino]phenyl]carbamate
CID 137353839
N-(4-chloro-2-fluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 7774576
tert-butyl N-[4-fluoro-3-(heptylamino)phenyl]carbamate
CID 107241007
tert-butyl N-[4-fluoro-3-(pyridin-4-ylmethylamino)phenyl]carbamate
CID 107240932
tert-butyl N-[5-[(2-cyanoacetyl)amino]-2-fluorophenyl]carbamate
CID 168521828

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate (CID 86930596) is tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate is CSCc1ccc(C(=O)Nc2cc(NC(=O)OC(C)(C)C)ccc2F)cc1.
What is the InChIKey of tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate?
The InChIKey is GLIFNCVYZNJBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-20(2,3)26-19(25)22-15-9-10-16(21)17(11-15)23-18(24)14-7-5-13(6-8-14)12-27-4/h5-11H,12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate?
tert-butyl N-[4-fluoro-3-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate has a molecular weight of 390.48 g/mol, XLogP of 5.29, 5 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-[[4-(methylsulfanylmethyl)benzoyl]amino]phenyl]carbamate is sourced from PubChem (CID 86930596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).