N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide

C17H26N2O3S — CID 113069505

IUPACN-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
SMILESCCc1cccc(CC)c1N(CCNC(=O)C1CC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-4-13-7-6-8-14(5-2)16(13)19(23(3,21)22)12-11-18-17(20)15-9-10-15/h6-8,15H,4-5,9-12H2,1-3H3,(H,18,20)
InChIKeyWLEDDKCDKJGGJJ-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.10
Rot. Bonds8

About N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide

N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide (PubChem CID 113069505) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
PubChem CID113069505
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
SMILESCCc1cccc(CC)c1N(CCNC(=O)C1CC1)S(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-4-13-7-6-8-14(5-2)16(13)19(23(3,21)22)12-11-18-17(20)15-9-10-15/h6-8,15H,4-5,9-12H2,1-3H3,(H,18,20)
InChIKeyWLEDDKCDKJGGJJ-UHFFFAOYSA-N
XLogP2.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072050
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069515
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069288
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069578
methyl N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113069326
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069299
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069097
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069805
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide
CID 113070738
N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]cyclobutanecarboxamide
CID 113070461
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
N-[2-(2,6-difluoro-N-methylsulfonylanilino)ethyl]propanamide
CID 113072400

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide (CID 113069505) is N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide is CCc1cccc(CC)c1N(CCNC(=O)C1CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide?
The InChIKey is WLEDDKCDKJGGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-13-7-6-8-14(5-2)16(13)19(23(3,21)22)12-11-18-17(20)15-9-10-15/h6-8,15H,4-5,9-12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide?
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113069505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).