tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate

C20H25NO4S — CID 10193920

IUPACtert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate
SMILESCc1ccc(C(NC(=O)OC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO4S/c1-14-6-10-16(11-7-14)18(21-19(22)25-20(3,4)5)26(23,24)17-12-8-15(2)9-13-17/h6-13,18H,1-5H3,(H,21,22)
InChIKeyLBTIZPIVDLIEQM-UHFFFAOYSA-N
MW375.49 g/mol
LogP4.30
Rot. Bonds4

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

tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate (PubChem CID 10193920) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate
PubChem CID10193920
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Nametert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate
SMILESCc1ccc(C(NC(=O)OC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25NO4S/c1-14-6-10-16(11-7-14)18(21-19(22)25-20(3,4)5)26(23,24)17-12-8-15(2)9-13-17/h6-13,18H,1-5H3,(H,21,22)
InChIKeyLBTIZPIVDLIEQM-UHFFFAOYSA-N
XLogP4.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 759094
N-benzyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759101
N-benzyl-2-tosylacetamide
CID 6460081
Tert-butyl cyclohexyl(phenylsulfonyl)methylcarbamate
CID 11792387
tert-Butyl ((4-chlorophenyl)(phenylsulfonyl)methyl)carbamate
CID 44206878
2-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]acetamide
CID 2992435
(Benzenesulfonylphenylmethyl)carbamic acid tert-butyl ester
CID 9997832
tert-butyl N-((4-(chlorosulfonyl)phenyl)methyl)carbamate
CID 101784491
tert-butyl N-[benzenesulfonyl-(4-fluorophenyl)methyl]carbamate
CID 11152767
tert-butyl N-[(1S)-2,2-bis(benzenesulfonyl)-2-fluoro-1-phenylethyl]carbamate
CID 25030231
tert-butyl N-[benzenesulfonyl-(2-fluorophenyl)methyl]carbamate
CID 102481543
tert-butyl N-[benzenesulfonyl-(3-chlorophenyl)methyl]carbamate
CID 16680547

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate?
The IUPAC name of tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate (CID 10193920) is tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate is Cc1ccc(C(NC(=O)OC(C)(C)C)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate?
The InChIKey is LBTIZPIVDLIEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-14-6-10-16(11-7-14)18(21-19(22)25-20(3,4)5)26(23,24)17-12-8-15(2)9-13-17/h6-13,18H,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate?
tert-butyl N-[(4-methylphenyl)-(4-methylphenyl)sulfonylmethyl]carbamate has a molecular weight of 375.49 g/mol, XLogP of 4.30, 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)-(4-methylphenyl)sulfonylmethyl]carbamate is sourced from PubChem (CID 10193920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).