methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate

C15H24N2O4S — CID 113069636

IUPACmethyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate
SMILESCOC(=O)NCCN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)12-6-8-13(9-7-12)17(22(5,19)20)11-10-16-14(18)21-4/h6-9H,10-11H2,1-5H3,(H,16,18)
InChIKeyHAGDMDJULJIOPP-UHFFFAOYSA-N
MW328.43 g/mol
LogP2.11
Rot. Bonds5

About methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate

methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate (PubChem CID 113069636) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate
PubChem CID113069636
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Namemethyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate
SMILESCOC(=O)NCCN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O4S/c1-15(2,3)12-6-8-13(9-7-12)17(22(5,19)20)11-10-16-14(18)21-4/h6-9H,10-11H2,1-5H3,(H,16,18)
InChIKeyHAGDMDJULJIOPP-UHFFFAOYSA-N
XLogP2.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-(methoxycarbonylamino)ethyl-methylsulfonylamino]benzoate
CID 113071235
4-tert-butyl-N-[2-(4-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113069749
tert-butyl N-[2-(4-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070634
3-(4-tert-butyl-N-methylsulfonylanilino)-N-(2-methoxyethyl)propanamide
CID 113143349
methyl N-[2-[4-(4-methylpiperazin-1-yl)-N-methylsulfonylanilino]ethyl]carbamate
CID 113071434
methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate
CID 113072035
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]oxane-4-carboxamide
CID 113069640
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]-3-methylbenzamide
CID 113069626
ethyl N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113068739
methyl N-[2-(3-bromo-N-methylsulfonylanilino)ethyl]carbamate
CID 113071573
methyl 4-[2-[(4-methylbenzoyl)amino]ethyl-methylsulfonylamino]benzoate
CID 113071226
4-tert-butyl-N-[2-(3-fluoro-N-methylsulfonylanilino)ethyl]benzamide
CID 113071489

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate?
The IUPAC name of methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate (CID 113069636) is methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate is COC(=O)NCCN(c1ccc(C(C)(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate?
The InChIKey is HAGDMDJULJIOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-15(2,3)12-6-8-13(9-7-12)17(22(5,19)20)11-10-16-14(18)21-4/h6-9H,10-11H2,1-5H3,(H,16,18).
What are the key properties of methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate?
methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate has a molecular weight of 328.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]carbamate is sourced from PubChem (CID 113069636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).