tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate

C19H21NO3S — CID 134492131

IUPACtert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate
SMILESCC(=O)c1ccc(Sc2ccc(NC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C19H21NO3S/c1-13(21)14-5-9-16(10-6-14)24-17-11-7-15(8-12-17)20-18(22)23-19(2,3)4/h5-12H,1-4H3,(H,20,22)
InChIKeyHWBHPZQZAKZTJU-UHFFFAOYSA-N
MW343.45 g/mol
LogP5.39
Rot. Bonds4

About tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate

tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate (PubChem CID 134492131) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate
PubChem CID134492131
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Nametert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate
SMILESCC(=O)c1ccc(Sc2ccc(NC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C19H21NO3S/c1-13(21)14-5-9-16(10-6-14)24-17-11-7-15(8-12-17)20-18(22)23-19(2,3)4/h5-12H,1-4H3,(H,20,22)
InChIKeyHWBHPZQZAKZTJU-UHFFFAOYSA-N
XLogP5.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]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-sulfanylphenyl)carbamate
CID 59412418
1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
CID 520243
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
tert-butyl N-[4-(2-chloroacetyl)phenyl]carbamate
CID 74788467
tert-butyl N-[4-[amino(methyl)carbamoyl]phenyl]carbamate
CID 22419684
bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] benzene-1,4-dicarboxylate
CID 168866198
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
tert-butyl N-(4-butanoylphenyl)carbamate
CID 69331401
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-4-oxobutanoic acid
CID 59558859
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate (CID 134492131) is tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate is CC(=O)c1ccc(Sc2ccc(NC(=O)OC(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate?
The InChIKey is HWBHPZQZAKZTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-13(21)14-5-9-16(10-6-14)24-17-11-7-15(8-12-17)20-18(22)23-19(2,3)4/h5-12H,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate?
tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate has a molecular weight of 343.45 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate is sourced from PubChem (CID 134492131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).