tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate

C15H23ClN2O4S — CID 113070014

IUPACtert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
SMILESCc1c(Cl)cccc1N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O4S/c1-11-12(16)7-6-8-13(11)18(23(5,20)21)10-9-17-14(19)22-15(2,3)4/h6-8H,9-10H2,1-5H3,(H,17,19)
InChIKeySFWDISNQHBCKRT-UHFFFAOYSA-N
MW362.88 g/mol
LogP2.94
Rot. Bonds5

About tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate

tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate (PubChem CID 113070014) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
PubChem CID113070014
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Nametert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
SMILESCc1c(Cl)cccc1N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O4S/c1-11-12(16)7-6-8-13(11)18(23(5,20)21)10-9-17-14(19)22-15(2,3)4/h6-8H,9-10H2,1-5H3,(H,17,19)
InChIKeySFWDISNQHBCKRT-UHFFFAOYSA-N
XLogP2.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069984
tert-butyl N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]carbamate
CID 113059766
tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate
CID 113070895
tert-butyl N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]carbamate
CID 113070581
methyl N-[2-(2,6-dichloro-N-methylsulfonylanilino)ethyl]carbamate
CID 113072035
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
tert-butyl N-[2-(2,4,6-trimethyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069490
tert-butyl N-[2-(3-chloro-2-methylanilino)ethyl]carbamate
CID 112702215
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143992
tert-butyl N-[[2-[butyl(methylsulfonyl)amino]phenyl]methyl]carbamate
CID 118512508
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113070022
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072050

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate (CID 113070014) is tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate is Cc1c(Cl)cccc1N(CCNC(=O)OC(C)(C)C)S(C)(=O)=O.
What is the InChIKey of tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate?
The InChIKey is SFWDISNQHBCKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S/c1-11-12(16)7-6-8-13(11)18(23(5,20)21)10-9-17-14(19)22-15(2,3)4/h6-8H,9-10H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate?
tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate has a molecular weight of 362.88 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate is sourced from PubChem (CID 113070014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).