N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide

C10H13ClN2OS — CID 61023322

IUPACN-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C10H13ClN2OS/c1-6(15-2)10(14)13-9-5-7(11)3-4-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyICBXRFRFEVEPMY-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.61
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide

N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide (PubChem CID 61023322) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
PubChem CID61023322
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC NameN-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide
SMILESCSC(C)C(=O)Nc1cc(Cl)ccc1N
InChIInChI=1S/C10H13ClN2OS/c1-6(15-2)10(14)13-9-5-7(11)3-4-8(9)12/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyICBXRFRFEVEPMY-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-(2-amino-5-chlorophenyl)-2-(3-methylbutylsulfanyl)propanamide
CID 107749184
N-(2-amino-5-chlorophenyl)-2-ethylsulfinylpropanamide
CID 61303642
N-(2-amino-5-chlorophenyl)-2-methylpentanamide
CID 43209694
N-(2-amino-5-chlorophenyl)-2-propylsulfinylpropanamide
CID 61304437
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]propanamide
CID 61244276
N-(2-amino-5-chlorophenyl)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 62897528
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,5-dichlorophenyl)propanamide
CID 2488389
N-(2-amino-5-chlorophenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264543
N-(2-amino-5-chlorophenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005140
N-[5-chloro-2-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]furan-2-carboxamide
CID 94660299
N-(2-amino-5-chlorophenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 16794251

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide (CID 61023322) is N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide is CSC(C)C(=O)Nc1cc(Cl)ccc1N.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide?
The InChIKey is ICBXRFRFEVEPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-6(15-2)10(14)13-9-5-7(11)3-4-8(9)12/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide?
N-(2-amino-5-chlorophenyl)-2-methylsulfanylpropanamide has a molecular weight of 244.75 g/mol, XLogP of 2.61, 3 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-methylsulfanylpropanamide is sourced from PubChem (CID 61023322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).