N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide

C21H27NO4S — CID 3270673

IUPACN-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide
SMILESCCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C21H27NO4S/c1-4-17(5-2)27(24,25)18-12-13-20(26-3)19(15-18)22-21(23)14-11-16-9-7-6-8-10-16/h6-10,12-13,15,17H,4-5,11,14H2,1-3H3,(H,22,23)
InChIKeyPAPVMIXWKUVXRU-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.23
Rot. Bonds9

About N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide

N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide (PubChem CID 3270673) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide
PubChem CID3270673
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC NameN-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide
SMILESCCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C21H27NO4S/c1-4-17(5-2)27(24,25)18-12-13-20(26-3)19(15-18)22-21(23)14-11-16-9-7-6-8-10-16/h6-10,12-13,15,17H,4-5,11,14H2,1-3H3,(H,22,23)
InChIKeyPAPVMIXWKUVXRU-UHFFFAOYSA-N
XLogP4.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 92681993
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
CID 7733250
3-(3-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 19237299
3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 3256259
3,5-dimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 5170083
N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 6490974
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(4-ethoxyphenyl)propanamide
CID 19226128
3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide
CID 51281176
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-9H-xanthene-9-carboxamide
CID 3256262
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
CID 134019079
3-[4-(ethylsulfamoyl)phenyl]-N-(2-methoxyphenyl)propanamide
CID 2227902

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide (CID 3270673) is N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide is CCC(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide?
The InChIKey is PAPVMIXWKUVXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-4-17(5-2)27(24,25)18-12-13-20(26-3)19(15-18)22-21(23)14-11-16-9-7-6-8-10-16/h6-10,12-13,15,17H,4-5,11,14H2,1-3H3,(H,22,23).
What are the key properties of N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide?
N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide has a molecular weight of 389.52 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 3270673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).