(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

C19H27N3O3S2 — CID 9389955

IUPAC(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N(C)Cc1sccc1C
InChIInChI=1S/C19H27N3O3S2/c1-13-7-8-16(27(24,25)21(4)5)11-17(13)20-19(23)15(3)22(6)12-18-14(2)9-10-26-18/h7-11,15H,12H2,1-6H3,(H,20,23)/t15-/m1/s1
InChIKeyWDRLVFCAOWYVOB-OAHLLOKOSA-N
MW409.58 g/mol
LogP3.07
Rot. Bonds7

About (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide

(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (PubChem CID 9389955) has the molecular formula C19H27N3O3S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
PubChem CID9389955
Molecular FormulaC19H27N3O3S2
Molecular Weight409.58 g/mol
Exact Mass409.15
IUPAC Name(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N(C)Cc1sccc1C
InChIInChI=1S/C19H27N3O3S2/c1-13-7-8-16(27(24,25)21(4)5)11-17(13)20-19(23)15(3)22(6)12-18-14(2)9-10-26-18/h7-11,15H,12H2,1-6H3,(H,20,23)/t15-/m1/s1
InChIKeyWDRLVFCAOWYVOB-OAHLLOKOSA-N
XLogP3.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide with MolForge

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Related Compounds

(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434153
2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 167781077
(2S)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 9434113
[(2S)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825203
[(2R)-1-[5-(dimethylsulfamoyl)-2-methylanilino]-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 7825202
(2S)-2-chloro-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 7063279
N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 17405259
(2S)-N-(4-acetamidophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 40952704
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(methylamino)propanamide
CID 60638627
(2R)-N-(2-methoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434103
N-(2,3-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 55364809
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The IUPAC name of (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide (CID 9389955) is (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The canonical SMILES for (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N(C)Cc1sccc1C.
What is the InChIKey of (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
The InChIKey is WDRLVFCAOWYVOB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O3S2/c1-13-7-8-16(27(24,25)21(4)5)11-17(13)20-19(23)15(3)22(6)12-18-14(2)9-10-26-18/h7-11,15H,12H2,1-6H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide?
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide has a molecular weight of 409.58 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 9389955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).