tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate

C19H23NO4S — CID 11089738

IUPACtert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(N(C(=O)OC(C)(C)C)S(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H23NO4S/c1-14-10-12-16(13-11-14)20(18(21)24-19(3,4)5)25(22,23)17-9-7-6-8-15(17)2/h6-13H,1-5H3
InChIKeyULDCNSNLWREBFH-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.43
Rot. Bonds3

About tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate

tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate (PubChem CID 11089738) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate
PubChem CID11089738
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Nametert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(N(C(=O)OC(C)(C)C)S(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C19H23NO4S/c1-14-10-12-16(13-11-14)20(18(21)24-19(3,4)5)25(22,23)17-9-7-6-8-15(17)2/h6-13H,1-5H3
InChIKeyULDCNSNLWREBFH-UHFFFAOYSA-N
XLogP4.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3-bromophenyl)sulfonyl-N-(4-methylphenyl)carbamate
CID 67189391
tert-butyl N,N-bis(4-methylphenyl)carbamate
CID 139528055
tert-butyl N-[4-(4-methyl-N-[4-[4-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]phenyl]anilino)phenyl]-N-phenylcarbamate
CID 122607216
tert-butyl N-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]carbamate
CID 58261829
tert-butyl N-phenyl-N-(phenylsulfamoyl)carbamate
CID 101179640
tert-butyl N-(4-methylphenyl)sulfonyl-N-(2-prop-2-enylphenyl)carbamate
CID 102356550
tert-butyl N-(2-iodophenyl)-N-(4-methylphenyl)carbamate
CID 165178410
tert-butyl N-(4-methoxyphenyl)sulfonyl-N-(3-methylphenyl)carbamate
CID 70074555
tert-butyl N-(3,3-dimethylbutyl)-N-(4-methylphenyl)sulfonylcarbamate
CID 177466380
tert-butyl N-[methyl-(4-methylphenyl)sulfonylamino]-N-(4-methylphenyl)sulfonylcarbamate
CID 160689143
tert-butyl N-(3-methylbut-3-enyl)-N-(4-methylphenyl)sulfonylcarbamate
CID 15548420
tert-butyl N-(4-methylphenyl)sulfonyl-N-(propan-2-ylamino)carbamate
CID 15455853

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate?
The IUPAC name of tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate (CID 11089738) is tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate?
The canonical SMILES for tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate is Cc1ccc(N(C(=O)OC(C)(C)C)S(=O)(=O)c2ccccc2C)cc1.
What is the InChIKey of tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate?
The InChIKey is ULDCNSNLWREBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-14-10-12-16(13-11-14)20(18(21)24-19(3,4)5)25(22,23)17-9-7-6-8-15(17)2/h6-13H,1-5H3.
What are the key properties of tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate?
tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate has a molecular weight of 361.46 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methylphenyl)-N-(2-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 11089738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).