N-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide

C18H13ClN4OS — CID 156572382

IUPACN-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide
SMILESN#Cc1nccc2c(SN)cc(NC(=O)Cc3ccccc3Cl)cc12
InChIInChI=1S/C18H13ClN4OS/c19-15-4-2-1-3-11(15)7-18(24)23-12-8-14-13(17(9-12)25-21)5-6-22-16(14)10-20/h1-6,8-9H,7,21H2,(H,23,24)
InChIKeyRZWSLCVANNHQCV-UHFFFAOYSA-N
MW368.85 g/mol
LogP3.91
Rot. Bonds4

About N-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide

N-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide (PubChem CID 156572382) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is N-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide
PubChem CID156572382
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC NameN-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide
SMILESN#Cc1nccc2c(SN)cc(NC(=O)Cc3ccccc3Cl)cc12
InChIInChI=1S/C18H13ClN4OS/c19-15-4-2-1-3-11(15)7-18(24)23-12-8-14-13(17(9-12)25-21)5-6-22-16(14)10-20/h1-6,8-9H,7,21H2,(H,23,24)
InChIKeyRZWSLCVANNHQCV-UHFFFAOYSA-N
XLogP3.91
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-aminosulfanyl-1-(fluoromethyl)isoquinolin-7-yl]-2-(2-chlorophenyl)acetamide
CID 156572350
N-(5-aminosulfanyl-1-cyclopropylisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide
CID 156572376
N-(5-aminosulfanylisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide
CID 156572240
N-[5-aminosulfanyl-1-(2-cyclopropylethoxy)isoquinolin-7-yl]-2-(2-chlorophenyl)acetamide
CID 156572384
N-(8-aminosulfanylisoquinolin-6-yl)-2-(2-chlorophenyl)acetamide
CID 156572530
N-[3-aminosulfanyl-4-[(4-fluorophenoxy)methyl]phenyl]-2-(2-chlorophenyl)acetamide
CID 167200135
N-(4-amino-3,5-dichlorophenyl)-2-(2-chlorophenyl)acetamide
CID 46665625
2-(2-chlorophenyl)-N-(1-methoxy-5-sulfamoylisoquinolin-7-yl)acetamide
CID 156572293
N-[3-aminosulfanyl-4-[(3-methylimidazol-4-yl)oxymethyl]phenyl]-2-(2-chlorophenyl)acetamide
CID 167200508
N-[5-aminosulfanyl-2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2-chlorophenyl)acetamide
CID 156572452
N-(5-chloro-2-cyanophenyl)-2-(2-chlorophenyl)acetamide
CID 60628654
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799

Frequently Asked Questions

What is the IUPAC name of N-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide (CID 156572382) is N-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide is N#Cc1nccc2c(SN)cc(NC(=O)Cc3ccccc3Cl)cc12.
What is the InChIKey of N-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide?
The InChIKey is RZWSLCVANNHQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c19-15-4-2-1-3-11(15)7-18(24)23-12-8-14-13(17(9-12)25-21)5-6-22-16(14)10-20/h1-6,8-9H,7,21H2,(H,23,24).
What are the key properties of N-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide?
N-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide has a molecular weight of 368.85 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminosulfanyl-1-cyanoisoquinolin-7-yl)-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 156572382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).