3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide

C20H26N2O4S — CID 28557375

IUPAC3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-15(18-7-5-6-8-19(18)26-4)21-20(23)14-11-16-9-12-17(13-10-16)27(24,25)22(2)3/h5-10,12-13,15H,11,14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyBPYXYWIUQCPVOR-HNNXBMFYSA-N
MW390.51 g/mol
LogP2.76
Rot. Bonds8

About 3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide

3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide (PubChem CID 28557375) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
PubChem CID28557375
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C20H26N2O4S/c1-15(18-7-5-6-8-19(18)26-4)21-20(23)14-11-16-9-12-17(13-10-16)27(24,25)22(2)3/h5-10,12-13,15H,11,14H2,1-4H3,(H,21,23)/t15-/m0/s1
InChIKeyBPYXYWIUQCPVOR-HNNXBMFYSA-N
XLogP2.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 43873806
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 43873798
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557368
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873509
3-[4-(cyclohexylsulfamoyl)phenyl]-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 43873814
3-(3,4-dimethylphenyl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133160279
2-[benzenesulfonyl(methyl)amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43891548
2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873667
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871620
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28544990
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26618752
N-[1-(2-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55395322

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide (CID 28557375) is 3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide is COc1ccccc1[C@H](C)NC(=O)CCc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide?
The InChIKey is BPYXYWIUQCPVOR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-15(18-7-5-6-8-19(18)26-4)21-20(23)14-11-16-9-12-17(13-10-16)27(24,25)22(2)3/h5-10,12-13,15H,11,14H2,1-4H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide?
3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide has a molecular weight of 390.51 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 28557375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).