(2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide

C17H19Cl2N3O3S — CID 2657912

IUPAC(2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2N3O3S/c1-11(22(2)10-12-3-4-13(18)9-16(12)19)17(23)21-14-5-7-15(8-6-14)26(20,24)25/h3-9,11H,10H2,1-2H3,(H,21,23)(H2,20,24,25)/t11-/m0/s1
InChIKeyARUUUFKOCCLYRN-NSHDSACASA-N
MW416.33 g/mol
LogP3.10
Rot. Bonds6

About (2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide

(2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 2657912) has the molecular formula C17H19Cl2N3O3S and a molecular weight of 416.33 g/mol. Its IUPAC name is (2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
PubChem CID2657912
Molecular FormulaC17H19Cl2N3O3S
Molecular Weight416.33 g/mol
Exact Mass415.05
IUPAC Name(2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2N3O3S/c1-11(22(2)10-12-3-4-13(18)9-16(12)19)17(23)21-14-5-7-15(8-6-14)26(20,24)25/h3-9,11H,10H2,1-2H3,(H,21,23)(H2,20,24,25)/t11-/m0/s1
InChIKeyARUUUFKOCCLYRN-NSHDSACASA-N
XLogP3.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 24681104
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 4845097
2-[(2-bromophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide
CID 55351564
(2R)-N-(3-acetylphenyl)-2-[(2,4-dichlorophenyl)methyl-methylamino]propanamide
CID 9197004
(2S)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8517596
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 55361761
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(4-sulfamoylphenyl)acetamide
CID 126074495
2-[(2,4-dichlorophenyl)methyl-methylamino]propanoic acid
CID 62638137
(2S)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 9434113
2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 42893690
2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912001
2-[(2-chlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 9058026

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide (CID 2657912) is (2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide is C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is ARUUUFKOCCLYRN-NSHDSACASA-N. The full InChI is InChI=1S/C17H19Cl2N3O3S/c1-11(22(2)10-12-3-4-13(18)9-16(12)19)17(23)21-14-5-7-15(8-6-14)26(20,24)25/h3-9,11H,10H2,1-2H3,(H,21,23)(H2,20,24,25)/t11-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide?
(2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 416.33 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4-dichlorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 2657912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).