N-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

C21H32N2O4S — CID 2202518

IUPACN-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCOCC2)C2CCCCC2)c(C)c1
InChIInChI=1S/C21H32N2O4S/c1-16-13-17(2)21(18(3)14-16)28(25,26)23(19-7-5-4-6-8-19)15-20(24)22-9-11-27-12-10-22/h13-14,19H,4-12,15H2,1-3H3
InChIKeyIXBPRHVPROKSCA-UHFFFAOYSA-N
MW408.56 g/mol
LogP2.79
Rot. Bonds5

About N-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide

N-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (PubChem CID 2202518) has the molecular formula C21H32N2O4S and a molecular weight of 408.56 g/mol. Its IUPAC name is N-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
PubChem CID2202518
Molecular FormulaC21H32N2O4S
Molecular Weight408.56 g/mol
Exact Mass408.21
IUPAC NameN-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCOCC2)C2CCCCC2)c(C)c1
InChIInChI=1S/C21H32N2O4S/c1-16-13-17(2)21(18(3)14-16)28(25,26)23(19-7-5-4-6-8-19)15-20(24)22-9-11-27-12-10-22/h13-14,19H,4-12,15H2,1-3H3
InChIKeyIXBPRHVPROKSCA-UHFFFAOYSA-N
XLogP2.79
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.56
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholin-4-yl-[4-(2,4,6-trimethyl-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 1091479
N,2,4,6-tetramethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 969832
N-cyclohexyl-4-methyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 1154655
N-cyclohexyl-2,4,6-trimethyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide (non-preferred name)
CID 2202990
4-methyl-N,N-bis[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide (non-preferred name)
CID 2204445
ethyl 4-{N-cyclohexyl-N-[(4-methylphenyl)sulfonyl]glycyl}piperazine-1-carboxylate
CID 2925960
Ethyl 4-{[1-(mesitylsulfonyl)-4-piperidinyl]carbonyl}-1-piperazinecarboxylate
CID 2950112
2-[Methyl-(2,4,6-trimethyl-benzenesulfonyl)-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493529
2-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
CID 2815599
N-[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 2961332
4-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 20975181
N-ethyl-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 934568

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide (CID 2202518) is N-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCOCC2)C2CCCCC2)c(C)c1.
What is the InChIKey of N-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
The InChIKey is IXBPRHVPROKSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4S/c1-16-13-17(2)21(18(3)14-16)28(25,26)23(19-7-5-4-6-8-19)15-20(24)22-9-11-27-12-10-22/h13-14,19H,4-12,15H2,1-3H3.
What are the key properties of N-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide?
N-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide has a molecular weight of 408.56 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,4,6-trimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide is sourced from PubChem (CID 2202518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).