N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide

C17H20N2O4S — CID 134019079

IUPACN-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CCc2ccccc2)cc1NS(C)(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-23-16-10-9-14(12-15(16)19-24(2,21)22)18-17(20)11-8-13-6-4-3-5-7-13/h3-7,9-10,12,19H,8,11H2,1-2H3,(H,18,20)
InChIKeyKFXPTFUOXKATPY-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.64
Rot. Bonds7

About N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide

N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide (PubChem CID 134019079) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
PubChem CID134019079
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide
SMILESCOc1ccc(NC(=O)CCc2ccccc2)cc1NS(C)(=O)=O
InChIInChI=1S/C17H20N2O4S/c1-23-16-10-9-14(12-15(16)19-24(2,21)22)18-17(20)11-8-13-6-4-3-5-7-13/h3-7,9-10,12,19H,8,11H2,1-2H3,(H,18,20)
InChIKeyKFXPTFUOXKATPY-UHFFFAOYSA-N
XLogP2.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide
CID 55828058
N'-(2-cyanoethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]-N'-phenylbutanediamide
CID 56504639
N-(3-hydroxy-4-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 57395389
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-(4-methylphenyl)propanamide
CID 16580146
3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide
CID 55827287
3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 43050377
2-chloro-N-[3-(methanesulfonamido)-4-phenoxyphenyl]acetamide
CID 15285980
N-[3-(methanesulfonamido)-4-methoxyphenyl]-2-methylbenzamide
CID 134019085
5-(4-bromophenyl)-N-[4-(methanesulfonamido)-3-methoxyphenyl]pentanamide
CID 60509529
N-[3-(methanesulfonamido)-4-methoxyphenyl]isoquinoline-1-carboxamide
CID 52788633

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide (CID 134019079) is N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide is COc1ccc(NC(=O)CCc2ccccc2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide?
The InChIKey is KFXPTFUOXKATPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-23-16-10-9-14(12-15(16)19-24(2,21)22)18-17(20)11-8-13-6-4-3-5-7-13/h3-7,9-10,12,19H,8,11H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide?
N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide has a molecular weight of 348.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-4-methoxyphenyl]-3-phenylpropanamide is sourced from PubChem (CID 134019079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).