N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

C23H29ClN2O4S — CID 100541707

IUPACN-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN2O4S/c1-30-22-11-10-21(31(28,29)26-15-3-2-4-16-26)17-19(22)7-12-23(27)25-14-13-18-5-8-20(24)9-6-18/h5-6,8-11,17H,2-4,7,12-16H2,1H3,(H,25,27)
InChIKeyWVKBSCBUSNJGEO-UHFFFAOYSA-N
MW465.02 g/mol
LogP3.81
Rot. Bonds9

About N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide

N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 100541707) has the molecular formula C23H29ClN2O4S and a molecular weight of 465.02 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID100541707
Molecular FormulaC23H29ClN2O4S
Molecular Weight465.02 g/mol
Exact Mass464.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C23H29ClN2O4S/c1-30-22-11-10-21(31(28,29)26-15-3-2-4-16-26)17-19(22)7-12-23(27)25-14-13-18-5-8-20(24)9-6-18/h5-6,8-11,17H,2-4,7,12-16H2,1H3,(H,25,27)
InChIKeyWVKBSCBUSNJGEO-UHFFFAOYSA-N
XLogP3.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 100564145
N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100542671
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-pentan-3-ylpropanamide
CID 100725262
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-pentan-2-ylpropanamide
CID 133265330
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 100619459
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100800412
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100624807
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 133265295
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-(2-methoxyphenyl)-4-oxobutanamide
CID 108736526
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 5206655
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]propanamide
CID 133210969

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide (CID 100541707) is N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1CCC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is WVKBSCBUSNJGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4S/c1-30-22-11-10-21(31(28,29)26-15-3-2-4-16-26)17-19(22)7-12-23(27)25-14-13-18-5-8-20(24)9-6-18/h5-6,8-11,17H,2-4,7,12-16H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide?
N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 465.02 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 100541707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).