N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide

C13H15ClN2OS — CID 106428862

IUPACN-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide
SMILESC#CCSCCNCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2OS/c1-2-7-18-8-6-15-10-13(17)16-12-5-3-4-11(14)9-12/h1,3-5,9,15H,6-8,10H2,(H,16,17)
InChIKeyMZPCXCQJLHWFGK-UHFFFAOYSA-N
MW282.80 g/mol
LogP2.23
Rot. Bonds7

About N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide

N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide (PubChem CID 106428862) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide
PubChem CID106428862
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC NameN-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide
SMILESC#CCSCCNCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C13H15ClN2OS/c1-2-7-18-8-6-15-10-13(17)16-12-5-3-4-11(14)9-12/h1,3-5,9,15H,6-8,10H2,(H,16,17)
InChIKeyMZPCXCQJLHWFGK-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorophenyl)-2-(5-hydroxypentylamino)acetamide
CID 103820250
N-(3-chlorophenyl)-2-(pent-3-ynylamino)acetamide
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N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(3-chlorophenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 28583672
N-(3-chlorophenyl)-2-(2-cyanoethylsulfanyl)acetamide
CID 82181411
N-(3-chlorophenyl)-2-(2,3-dihydroxypropylamino)acetamide
CID 66171426
N-(3-chlorophenyl)-2-(2,2-dimethylpropylamino)acetamide
CID 61168620
2-(but-3-yn-2-ylamino)-N-(3-chlorophenyl)acetamide
CID 114416777
N-(3-chlorophenyl)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 115745385

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide (CID 106428862) is N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide is C#CCSCCNCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide?
The InChIKey is MZPCXCQJLHWFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-2-7-18-8-6-15-10-13(17)16-12-5-3-4-11(14)9-12/h1,3-5,9,15H,6-8,10H2,(H,16,17).
What are the key properties of N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide?
N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide has a molecular weight of 282.80 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2-prop-2-ynylsulfanylethylamino)acetamide is sourced from PubChem (CID 106428862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).