N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide

C13H17ClN2O2S — CID 106494309

IUPACN-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
SMILESNc1ccc(Cl)c(NC(=O)CSCC2CCCO2)c1
InChIInChI=1S/C13H17ClN2O2S/c14-11-4-3-9(15)6-12(11)16-13(17)8-19-7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8,15H2,(H,16,17)
InChIKeyWBDICDMZMKWYCB-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.77
Rot. Bonds5

About N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide

N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide (PubChem CID 106494309) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
PubChem CID106494309
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC NameN-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
SMILESNc1ccc(Cl)c(NC(=O)CSCC2CCCO2)c1
InChIInChI=1S/C13H17ClN2O2S/c14-11-4-3-9(15)6-12(11)16-13(17)8-19-7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8,15H2,(H,16,17)
InChIKeyWBDICDMZMKWYCB-UHFFFAOYSA-N
XLogP2.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 65157307
N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfinyl)acetamide
CID 106495288
1-(2,4-dichlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 106495124
4-chloro-3-[[2-(cyclopentylmethylsulfanyl)acetyl]amino]benzoic acid
CID 63118862
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-(2-chloro-5-iodophenyl)-3-(oxolan-2-yl)propanamide
CID 113255393
N-(2,5-dichlorophenyl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 46688541
N-[5-cyano-2-(methylamino)phenyl]-2-[[(2S)-oxan-2-yl]methylsulfanyl]acetamide
CID 129486600
N-(3-amino-4-methoxyphenyl)-2-(oxan-2-ylmethylsulfanyl)acetamide;hydrochloride
CID 119420081
N-(5-amino-2-chlorophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 43613723
1-(1-benzofuran-2-yl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 106495123

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide (CID 106494309) is N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide is Nc1ccc(Cl)c(NC(=O)CSCC2CCCO2)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide?
The InChIKey is WBDICDMZMKWYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c14-11-4-3-9(15)6-12(11)16-13(17)8-19-7-10-2-1-5-18-10/h3-4,6,10H,1-2,5,7-8,15H2,(H,16,17).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide?
N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide has a molecular weight of 300.81 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 106494309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).