N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide

C18H28N2O3S — CID 113069097

IUPACN-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
SMILESCc1cccc(N(CCNC(=O)C2CCCCC2)S(C)(=O)=O)c1C
InChIInChI=1S/C18H28N2O3S/c1-14-8-7-11-17(15(14)2)20(24(3,22)23)13-12-19-18(21)16-9-5-4-6-10-16/h7-8,11,16H,4-6,9-10,12-13H2,1-3H3,(H,19,21)
InChIKeyADJZCDIDQHDGHU-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.77
Rot. Bonds6

About N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide

N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide (PubChem CID 113069097) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
PubChem CID113069097
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
SMILESCc1cccc(N(CCNC(=O)C2CCCCC2)S(C)(=O)=O)c1C
InChIInChI=1S/C18H28N2O3S/c1-14-8-7-11-17(15(14)2)20(24(3,22)23)13-12-19-18(21)16-9-5-4-6-10-16/h7-8,11,16H,4-6,9-10,12-13H2,1-3H3,(H,19,21)
InChIKeyADJZCDIDQHDGHU-UHFFFAOYSA-N
XLogP2.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069805
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069581
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072050
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069578
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113065694
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]cyclohexanecarboxamide
CID 113068124
N-cyclopropyl-3-(2,3-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142557
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113069117
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069505
N-[3-(azepan-1-yl)propyl]-4-(2,3-dimethyl-N-methylsulfonylanilino)butanamide
CID 100511214
N-[2-(N-methylsulfonyl-2-morpholin-4-ylanilino)ethyl]cyclobutanecarboxamide
CID 113071421

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide (CID 113069097) is N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide is Cc1cccc(N(CCNC(=O)C2CCCCC2)S(C)(=O)=O)c1C.
What is the InChIKey of N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide?
The InChIKey is ADJZCDIDQHDGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14-8-7-11-17(15(14)2)20(24(3,22)23)13-12-19-18(21)16-9-5-4-6-10-16/h7-8,11,16H,4-6,9-10,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide?
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113069097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).