N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide

C23H37N3O4S — CID 55987183

IUPACN-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C23H37N3O4S/c1-23(2,3)24-31(28,29)21-16-19(10-11-20(21)30-4)22(27)26-14-12-25(13-15-26)17-18-8-6-5-7-9-18/h10-11,16,18,24H,5-9,12-15,17H2,1-4H3
InChIKeyLVJZFSXPIFAGJD-UHFFFAOYSA-N
MW451.63 g/mol
LogP3.11
Rot. Bonds6

About N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide

N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide (PubChem CID 55987183) has the molecular formula C23H37N3O4S and a molecular weight of 451.63 g/mol. Its IUPAC name is N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide
PubChem CID55987183
Molecular FormulaC23H37N3O4S
Molecular Weight451.63 g/mol
Exact Mass451.25
IUPAC NameN-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C23H37N3O4S/c1-23(2,3)24-31(28,29)21-16-19(10-11-20(21)30-4)22(27)26-14-12-25(13-15-26)17-18-8-6-5-7-9-18/h10-11,16,18,24H,5-9,12-15,17H2,1-4H3
InChIKeyLVJZFSXPIFAGJD-UHFFFAOYSA-N
XLogP3.11
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-methoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 29262539
N-tert-butyl-2-methoxy-5-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 29261965
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
N-cyclopentyl-2-methoxy-5-[4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55644273
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
[4-(2-cyclohexylethyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 168948500
4-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 55956476
5-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-methoxy-N-methylbenzenesulfonamide
CID 49071505
3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 55987572
(3-methoxy-4-methylphenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone
CID 119930660
2-methoxy-5-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119543843
4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 55958812

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide (CID 55987183) is N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide is COc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide?
The InChIKey is LVJZFSXPIFAGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O4S/c1-23(2,3)24-31(28,29)21-16-19(10-11-20(21)30-4)22(27)26-14-12-25(13-15-26)17-18-8-6-5-7-9-18/h10-11,16,18,24H,5-9,12-15,17H2,1-4H3.
What are the key properties of N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide?
N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide has a molecular weight of 451.63 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 55987183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).