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

C21H29N3O4S — CID 8646220

IUPAC(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide
SMILESCC[C@H](N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OC)cc1
InChIInChI=1S/C21H29N3O4S/c1-6-20(16-10-12-18(28-5)13-11-16)22-15(2)21(25)23-17-8-7-9-19(14-17)29(26,27)24(3)4/h7-15,20,22H,6H2,1-5H3,(H,23,25)/t15-,20-/m0/s1
InChIKeyHPWFTYRKSIQMMG-YWZLYKJASA-N
MW419.55 g/mol
LogP3.01
Rot. Bonds9

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

(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide (PubChem CID 8646220) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide
PubChem CID8646220
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC Name(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide
SMILESCC[C@H](N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OC)cc1
InChIInChI=1S/C21H29N3O4S/c1-6-20(16-10-12-18(28-5)13-11-16)22-15(2)21(25)23-17-8-7-9-19(14-17)29(26,27)24(3)4/h7-15,20,22H,6H2,1-5H3,(H,23,25)/t15-,20-/m0/s1
InChIKeyHPWFTYRKSIQMMG-YWZLYKJASA-N
XLogP3.01
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide
CID 9264035
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
CID 8758830
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 18146312
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] butanoate
CID 7796832
N-[3-(dimethylsulfamoyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119672946
[(2S)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992542
(2S)-N-(4-fluoro-3-nitrophenyl)-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide
CID 8646157
N-[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]benzamide
CID 18163583
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821
(2R)-2-(4-cyanophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 7818704
[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-ethoxyacetate
CID 8709554

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide?
The IUPAC name of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide (CID 8646220) is (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide.
What is the SMILES notation for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide?
The canonical SMILES for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide is CC[C@H](N[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(OC)cc1.
What is the InChIKey of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide?
The InChIKey is HPWFTYRKSIQMMG-YWZLYKJASA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-6-20(16-10-12-18(28-5)13-11-16)22-15(2)21(25)23-17-8-7-9-19(14-17)29(26,27)24(3)4/h7-15,20,22H,6H2,1-5H3,(H,23,25)/t15-,20-/m0/s1.
What are the key properties of (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide?
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide has a molecular weight of 419.55 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1S)-1-(4-methoxyphenyl)propyl]amino]propanamide is sourced from PubChem (CID 8646220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).