N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide

C15H24ClN3OS — CID 115985375

IUPACN-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
SMILESCCC(CSC)N(C)CCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H24ClN3OS/c1-4-12(10-21-3)19(2)8-7-15(20)18-11-5-6-13(16)14(17)9-11/h5-6,9,12H,4,7-8,10,17H2,1-3H3,(H,18,20)
InChIKeyWVPLMYQAELJLFZ-UHFFFAOYSA-N
MW329.90 g/mol
LogP3.32
Rot. Bonds8

About N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide

N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide (PubChem CID 115985375) has the molecular formula C15H24ClN3OS and a molecular weight of 329.90 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
PubChem CID115985375
Molecular FormulaC15H24ClN3OS
Molecular Weight329.90 g/mol
Exact Mass329.13
IUPAC NameN-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
SMILESCCC(CSC)N(C)CCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H24ClN3OS/c1-4-12(10-21-3)19(2)8-7-15(20)18-11-5-6-13(16)14(17)9-11/h5-6,9,12H,4,7-8,10,17H2,1-3H3,(H,18,20)
InChIKeyWVPLMYQAELJLFZ-UHFFFAOYSA-N
XLogP3.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.90
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115985399
N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272519
N-(3-cyanophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115898088
N-(3-amino-4-chlorophenyl)-3-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63694949
N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107748971
N-(3-amino-4-chlorophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985453
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263033
N-(3-amino-4-chlorophenyl)-3-pentylsulfanylpropanamide
CID 107748453
N-(3-amino-4-chlorophenyl)-4-propylsulfonylbutanamide
CID 43444857
N-(3-amino-4-chlorophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43262968
N-(3-amino-4-chlorophenyl)-4-propan-2-ylsulfinylbutanamide
CID 61289260

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide (CID 115985375) is N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide is CCC(CSC)N(C)CCC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide?
The InChIKey is WVPLMYQAELJLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3OS/c1-4-12(10-21-3)19(2)8-7-15(20)18-11-5-6-13(16)14(17)9-11/h5-6,9,12H,4,7-8,10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide?
N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide has a molecular weight of 329.90 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide is sourced from PubChem (CID 115985375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).