benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate

C19H22N2O4S — CID 103392797

IUPACbenzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate
SMILESCS(=O)(=O)c1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)cc1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)18-9-7-15(8-10-18)20-16-11-17(12-16)21-19(22)25-13-14-5-3-2-4-6-14/h2-10,16-17,20H,11-13H2,1H3,(H,21,22)
InChIKeyZPNJLZYAGAVVQE-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.96
Rot. Bonds6

About benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate

benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate (PubChem CID 103392797) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate
PubChem CID103392797
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Namebenzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate
SMILESCS(=O)(=O)c1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)cc1
InChIInChI=1S/C19H22N2O4S/c1-26(23,24)18-9-7-15(8-10-18)20-16-11-17(12-16)21-19(22)25-13-14-5-3-2-4-6-14/h2-10,16-17,20H,11-13H2,1H3,(H,21,22)
InChIKeyZPNJLZYAGAVVQE-UHFFFAOYSA-N
XLogP2.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate
CID 103392743
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393638
benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
CID 103392779
benzyl N-[3-[4-(cyanomethoxy)anilino]cyclobutyl]carbamate
CID 103392875
benzyl N-[3-(3-bromo-4-methoxyanilino)cyclobutyl]carbamate
CID 103393510
benzyl N-[3-[(6-ethoxy-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393572
benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate
CID 103392870
benzyl N-[3-(3-iodoanilino)cyclobutyl]carbamate
CID 103392947
benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate
CID 103393221
benzyl N-[3-(4-carbamoyl-3-chloroanilino)cyclobutyl]carbamate
CID 103393137
benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate
CID 103393058

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate (CID 103392797) is benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate is CS(=O)(=O)c1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)cc1.
What is the InChIKey of benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate?
The InChIKey is ZPNJLZYAGAVVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-26(23,24)18-9-7-15(8-10-18)20-16-11-17(12-16)21-19(22)25-13-14-5-3-2-4-6-14/h2-10,16-17,20H,11-13H2,1H3,(H,21,22).
What are the key properties of benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate?
benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate has a molecular weight of 374.46 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate is sourced from PubChem (CID 103392797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).