2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide

C11H15ClN2OS — CID 43249692

IUPAC2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCCN)c(Cl)c1
InChIInChI=1S/C11H15ClN2OS/c1-8-2-3-10(9(12)6-8)14-11(15)7-16-5-4-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyBLYFMPOGTNTQTF-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.28
Rot. Bonds5

About 2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide

2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 43249692) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID43249692
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCCN)c(Cl)c1
InChIInChI=1S/C11H15ClN2OS/c1-8-2-3-10(9(12)6-8)14-11(15)7-16-5-4-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)
InChIKeyBLYFMPOGTNTQTF-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylsulfanyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 84551895
[2-(2-chloro-4-methylanilino)-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060956
N-(2,4-dichlorophenyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 7732087
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
CID 43249676
3-amino-N-(2-chloro-4-methylphenyl)-3-sulfanylidenepropanamide
CID 28967971
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 43304793
N-(4-amino-2-chlorophenyl)-2-pentylsulfanylacetamide
CID 107748600
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26589848
N-(4-amino-2-chlorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114723

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide (CID 43249692) is 2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCCN)c(Cl)c1.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is BLYFMPOGTNTQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-8-2-3-10(9(12)6-8)14-11(15)7-16-5-4-13/h2-3,6H,4-5,7,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide?
2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 258.77 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 43249692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).