N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide

C17H26N2O3S — CID 113069578

IUPACN-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccccc1N(CCNC(=O)C1CC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)14-7-5-6-8-15(14)19(23(4,21)22)12-11-18-16(20)13-9-10-13/h5-8,13H,9-12H2,1-4H3,(H,18,20)
InChIKeyVMYCEEHQZCJPPE-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.28
Rot. Bonds6

About N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide

N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide (PubChem CID 113069578) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
PubChem CID113069578
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccccc1N(CCNC(=O)C1CC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-17(2,3)14-7-5-6-8-15(14)19(23(4,21)22)12-11-18-16(20)13-9-10-13/h5-8,13H,9-12H2,1-4H3,(H,18,20)
InChIKeyVMYCEEHQZCJPPE-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069581
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069583
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072050
1-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069597
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069805
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069097
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069505
N-butyl-3-(2-tert-butyl-N-methylsulfonylanilino)propanamide
CID 113143293
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]oxane-4-carboxamide
CID 113069640
N-[2-(N-methylsulfonyl-2-morpholin-4-ylanilino)ethyl]cyclobutanecarboxamide
CID 113071421
tert-butyl N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]carbamate
CID 113070895
2-methyl-N-[2-[N-methylsulfonyl-2-(trifluoromethyl)anilino]ethyl]propanamide
CID 113070881

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide (CID 113069578) is N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide is CC(C)(C)c1ccccc1N(CCNC(=O)C1CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide?
The InChIKey is VMYCEEHQZCJPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-17(2,3)14-7-5-6-8-15(14)19(23(4,21)22)12-11-18-16(20)13-9-10-13/h5-8,13H,9-12H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide?
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113069578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).