N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide

C14H21ClN2OS — CID 107749184

IUPACN-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide
SMILESCC(C)CCSC(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2OS/c1-9(2)6-7-19-10(3)14(18)17-13-8-11(15)4-5-12(13)16/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyFRGDKKNPBKJMJI-UHFFFAOYSA-N
MW300.86 g/mol
LogP4.03
Rot. Bonds6

About N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide

N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide (PubChem CID 107749184) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide
PubChem CID107749184
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide
SMILESCC(C)CCSC(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C14H21ClN2OS/c1-9(2)6-7-19-10(3)14(18)17-13-8-11(15)4-5-12(13)16/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18)
InChIKeyFRGDKKNPBKJMJI-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
CID 61023322
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
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N-(2-amino-5-chlorophenyl)-2-(4-methylpentoxy)propanamide
CID 43127174
N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 55315484
N-(2-amino-5-chlorophenyl)-2-ethylhexanamide
CID 43125435
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66103984
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-(2-amino-5-chlorophenyl)-2-pentoxypropanamide
CID 43274945
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437
N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005140
N-(2-amino-5-chlorophenyl)-4-(4-methylpentoxy)butanamide
CID 28995438

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide (CID 107749184) is N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide is CC(C)CCSC(C)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide?
The InChIKey is FRGDKKNPBKJMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-9(2)6-7-19-10(3)14(18)17-13-8-11(15)4-5-12(13)16/h4-5,8-10H,6-7,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide?
N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide has a molecular weight of 300.86 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide is sourced from PubChem (CID 107749184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).