tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate

C19H23NO4S — CID 6917587

IUPACtert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate
SMILESCc1ccc(S(=O)(=O)C(NC(=O)OC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO4S/c1-14-10-12-16(13-11-14)25(22,23)17(15-8-6-5-7-9-15)20-18(21)24-19(2,3)4/h5-13,17H,1-4H3,(H,20,21)
InChIKeyZBVRNFPSDSJAMM-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.99
Rot. Bonds4

About tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate

tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate (PubChem CID 6917587) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate
PubChem CID6917587
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Nametert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate
SMILESCc1ccc(S(=O)(=O)C(NC(=O)OC(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C19H23NO4S/c1-14-10-12-16(13-11-14)25(22,23)17(15-8-6-5-7-9-15)20-18(21)24-19(2,3)4/h5-13,17H,1-4H3,(H,20,21)
InChIKeyZBVRNFPSDSJAMM-UHFFFAOYSA-N
XLogP3.99
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate
CID 10193920
tert-butyl N-[(4-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate
CID 10287389
tert-butyl N-[(R)-benzenesulfonyl-(4-cyanophenyl)methyl]carbamate
CID 124581087
tert-butyl N-[benzenesulfonyl-[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 59536907
tert-butyl N-[benzenesulfonyl-(2-fluorophenyl)methyl]carbamate
CID 102481543
tert-butyl N-[benzenesulfonyl-(3-phenylmethoxyphenyl)methyl]carbamate
CID 71268083
methyl (2R,3R)-3-[(4-methylphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 11812387
4-fluoro-N-[(4-methylphenyl)sulfonyl-phenylmethyl]benzamide
CID 11199940
tert-butyl N-[cyclobutyl-(4-methylphenyl)sulfonylmethyl]carbamate
CID 164726165
(4-methylphenyl)sulfonyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138114183
tert-butyl N-[(1R,2S)-2-(4-methylphenyl)-2-nitro-1-phenylethyl]carbamate
CID 102396655
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate?
The IUPAC name of tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate (CID 6917587) is tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate is Cc1ccc(S(=O)(=O)C(NC(=O)OC(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate?
The InChIKey is ZBVRNFPSDSJAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14-10-12-16(13-11-14)25(22,23)17(15-8-6-5-7-9-15)20-18(21)24-19(2,3)4/h5-13,17H,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate?
tert-butyl N-[(4-methylphenyl)sulfonyl-phenylmethyl]carbamate has a molecular weight of 361.46 g/mol, XLogP of 3.99, 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-methylphenyl)sulfonyl-phenylmethyl]carbamate is sourced from PubChem (CID 6917587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).