N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide

C15H23ClN2OS — CID 107748971

IUPACN-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
SMILESCCC(C)CSCCCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H23ClN2OS/c1-3-11(2)10-20-8-4-5-15(19)18-12-6-7-13(16)14(17)9-12/h6-7,9,11H,3-5,8,10,17H2,1-2H3,(H,18,19)
InChIKeyDQNURMSYIRNPQA-UHFFFAOYSA-N
MW314.88 g/mol
LogP4.42
Rot. Bonds8

About N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide

N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide (PubChem CID 107748971) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
PubChem CID107748971
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC NameN-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
SMILESCCC(C)CSCCCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H23ClN2OS/c1-3-11(2)10-20-8-4-5-15(19)18-12-6-7-13(16)14(17)9-12/h6-7,9,11H,3-5,8,10,17H2,1-2H3,(H,18,19)
InChIKeyDQNURMSYIRNPQA-UHFFFAOYSA-N
XLogP4.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-amino-4-chlorophenyl)-3-pentylsulfanylpropanamide
CID 107748453
N-(2-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107749008
N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272519
N-(3-amino-4-chlorophenyl)-3-(2-methylbutylsulfinyl)propanamide
CID 107753767
N-[4-(methylaminocarbamoylamino)phenyl]-4-(2-methylbutylsulfanyl)butanamide
CID 142196216
N-(3-amino-4-chlorophenyl)-4-propan-2-ylsulfinylbutanamide
CID 61289260
N-[4-(hydrazinecarbonylamino)phenyl]-3-(2-methylbutylsulfanyl)propanamide
CID 22974122
N-(3-amino-4-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617463
N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148
N-(3-amino-4-chlorophenyl)-4-propylsulfonylbutanamide
CID 43444857
N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
CID 43274939

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide (CID 107748971) is N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide is CCC(C)CSCCCC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide?
The InChIKey is DQNURMSYIRNPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2OS/c1-3-11(2)10-20-8-4-5-15(19)18-12-6-7-13(16)14(17)9-12/h6-7,9,11H,3-5,8,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide?
N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide has a molecular weight of 314.88 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide is sourced from PubChem (CID 107748971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).