N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide

C28H39N3O4S — CID 21373214

IUPACN-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C28H39N3O4S/c1-21-18-22(2)28(23(3)19-21)36(33,34)31(24-10-6-5-7-11-24)20-27(32)30-16-14-29(15-17-30)25-12-8-9-13-26(25)35-4/h8-9,12-13,18-19,24H,5-7,10-11,14-17,20H2,1-4H3
InChIKeyWIBYUTRDTBYQAX-UHFFFAOYSA-N
MW513.70 g/mol
LogP4.29
Rot. Bonds7

About N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide

N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 21373214) has the molecular formula C28H39N3O4S and a molecular weight of 513.70 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID21373214
Molecular FormulaC28H39N3O4S
Molecular Weight513.70 g/mol
Exact Mass513.27
IUPAC NameN-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCOc1ccccc1N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C28H39N3O4S/c1-21-18-22(2)28(23(3)19-21)36(33,34)31(24-10-6-5-7-11-24)20-27(32)30-16-14-29(15-17-30)25-12-8-9-13-26(25)35-4/h8-9,12-13,18-19,24H,5-7,10-11,14-17,20H2,1-4H3
InChIKeyWIBYUTRDTBYQAX-UHFFFAOYSA-N
XLogP4.29
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.70
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113159270
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 2884049
N-(2-methoxyphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 21213825
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100795184
N-benzyl-2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylbenzenesulfonamide
CID 3954808
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373194
N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 1021987
N-(2,4-dimethoxyphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 51344252
N-cycloheptyl-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788557
2,5-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide
CID 45375573
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
4-chloro-N-(3,4-dimethylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 126186931

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide (CID 21373214) is N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide is COc1ccccc1N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is WIBYUTRDTBYQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O4S/c1-21-18-22(2)28(23(3)19-21)36(33,34)31(24-10-6-5-7-11-24)20-27(32)30-16-14-29(15-17-30)25-12-8-9-13-26(25)35-4/h8-9,12-13,18-19,24H,5-7,10-11,14-17,20H2,1-4H3.
What are the key properties of N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide?
N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 513.70 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 21373214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).