N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

C22H32N2O4S — CID 100542671

IUPACN-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCC1=CCCCC1
InChIInChI=1S/C22H32N2O4S/c1-28-21-12-11-20(29(26,27)24-14-6-3-7-15-24)16-19(21)10-13-22(25)23-17-18-8-4-2-5-9-18/h8,11-12,16H,2-7,9-10,13-15,17H2,1H3,(H,23,25)
InChIKeyXPWZQGNPSYRVJU-UHFFFAOYSA-N
MW420.58 g/mol
LogP3.42
Rot. Bonds8

About N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 100542671) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID100542671
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC NameN-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCC1=CCCCC1
InChIInChI=1S/C22H32N2O4S/c1-28-21-12-11-20(29(26,27)24-14-6-3-7-15-24)16-19(21)10-13-22(25)23-17-18-8-4-2-5-9-18/h8,11-12,16H,2-7,9-10,13-15,17H2,1H3,(H,23,25)
InChIKeyXPWZQGNPSYRVJU-UHFFFAOYSA-N
XLogP3.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100541707
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100624807
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
CID 133265330
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]propanamide
CID 133210969
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide
CID 100504157
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-pentan-3-ylpropanamide
CID 100725262
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide
CID 100730114
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 100564145
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100511227
methyl 4-[3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoate
CID 100566364
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (CID 100542671) is N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCC1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is XPWZQGNPSYRVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4S/c1-28-21-12-11-20(29(26,27)24-14-6-3-7-15-24)16-19(21)10-13-22(25)23-17-18-8-4-2-5-9-18/h8,11-12,16H,2-7,9-10,13-15,17H2,1H3,(H,23,25).
What are the key properties of N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 420.58 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 100542671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).