N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide

C10H13ClN2OS — CID 61023723

IUPACN-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C10H13ClN2OS/c1-15-5-4-10(14)13-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyJZHJHIBNALCBSH-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.61
Rot. Bonds4

About N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide

N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide (PubChem CID 61023723) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
PubChem CID61023723
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC NameN-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1ccc(Cl)cc1N
InChIInChI=1S/C10H13ClN2OS/c1-15-5-4-10(14)13-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyJZHJHIBNALCBSH-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.61
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-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide
CID 103766867
4-chloro-2-(3-methylsulfanylpropanoylamino)benzoic acid
CID 28777632
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190
N-(2-amino-4-chlorophenyl)-3-(4-bromophenyl)sulfanylpropanamide
CID 43345364
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-amino-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 28546369
N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 106922323
N-(2-amino-4-chlorophenyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 61346869
N-(2-amino-4-chlorophenyl)-4-(2-methylbutylsulfanyl)butanamide
CID 107749008
ethyl 2-[4-(2-amino-4-chloroanilino)-4-oxobutyl]sulfanylacetate
CID 43618357
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide
CID 61304444

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide (CID 61023723) is N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide is CSCCC(=O)Nc1ccc(Cl)cc1N.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide?
The InChIKey is JZHJHIBNALCBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-15-5-4-10(14)13-9-3-2-7(11)6-8(9)12/h2-3,6H,4-5,12H2,1H3,(H,13,14).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide?
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide has a molecular weight of 244.75 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 61023723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).