N-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

C21H37N3O2S — CID 24850265

IUPACN-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCCN(CC)c1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H37N3O2S/c1-6-24(7-2)20-14-12-18(13-15-20)22-16-17-8-10-19(11-9-17)23-27(25,26)21(3,4)5/h12-15,17,19,22-23H,6-11,16H2,1-5H3
InChIKeyRNQBWJFWSKOOEB-UHFFFAOYSA-N
MW395.61 g/mol
LogP4.22
Rot. Bonds8

About N-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

N-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (PubChem CID 24850265) has the molecular formula C21H37N3O2S and a molecular weight of 395.61 g/mol. Its IUPAC name is N-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
PubChem CID24850265
Molecular FormulaC21H37N3O2S
Molecular Weight395.61 g/mol
Exact Mass395.26
IUPAC NameN-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCCN(CC)c1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C21H37N3O2S/c1-6-24(7-2)20-14-12-18(13-15-20)22-16-17-8-10-19(11-9-17)23-27(25,26)21(3,4)5/h12-15,17,19,22-23H,6-11,16H2,1-5H3
InChIKeyRNQBWJFWSKOOEB-UHFFFAOYSA-N
XLogP4.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.61
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (CID 24850265) is N-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is CCN(CC)c1ccc(NCC2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of N-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The InChIKey is RNQBWJFWSKOOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2S/c1-6-24(7-2)20-14-12-18(13-15-20)22-16-17-8-10-19(11-9-17)23-27(25,26)21(3,4)5/h12-15,17,19,22-23H,6-11,16H2,1-5H3.
What are the key properties of N-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
N-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide has a molecular weight of 395.61 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(diethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 24850265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).