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

C20H32N2O3S — CID 113069581

IUPACN-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
SMILESCC(C)(C)c1ccccc1N(CCNC(=O)C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C20H32N2O3S/c1-20(2,3)17-12-8-9-13-18(17)22(26(4,24)25)15-14-21-19(23)16-10-6-5-7-11-16/h8-9,12-13,16H,5-7,10-11,14-15H2,1-4H3,(H,21,23)
InChIKeyRPJYJWWLLZZEFO-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.45
Rot. Bonds6

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

N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide (PubChem CID 113069581) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
PubChem CID113069581
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
SMILESCC(C)(C)c1ccccc1N(CCNC(=O)C1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C20H32N2O3S/c1-20(2,3)17-12-8-9-13-18(17)22(26(4,24)25)15-14-21-19(23)16-10-6-5-7-11-16/h8-9,12-13,16H,5-7,10-11,14-15H2,1-4H3,(H,21,23)
InChIKeyRPJYJWWLLZZEFO-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069578
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069805
N-[2-(2,3-dimethyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide
CID 113069097
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069583
1-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069597
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072050
N-[2-(N-methylsulfonyl-2-morpholin-4-ylanilino)ethyl]cyclobutanecarboxamide
CID 113071421
N-butyl-3-(2-tert-butyl-N-methylsulfonylanilino)propanamide
CID 113143293
N-[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]ethyl]cyclobutanecarboxamide
CID 113071268
N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide
CID 84512216
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]oxane-4-carboxamide
CID 113069640
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113069505

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide (CID 113069581) is N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide is CC(C)(C)c1ccccc1N(CCNC(=O)C1CCCCC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide?
The InChIKey is RPJYJWWLLZZEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-20(2,3)17-12-8-9-13-18(17)22(26(4,24)25)15-14-21-19(23)16-10-6-5-7-11-16/h8-9,12-13,16H,5-7,10-11,14-15H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide?
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]cyclohexanecarboxamide has a molecular weight of 380.55 g/mol, XLogP of 3.45, 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]cyclohexanecarboxamide is sourced from PubChem (CID 113069581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).