2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide

C19H18ClN3OS — CID 136874831

IUPAC2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCSc1ccc(Cl)cc1CC(=O)N/N=C\c1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H18ClN3OS/c1-12-16(15-5-3-4-6-17(15)22-12)11-21-23-19(24)10-13-9-14(20)7-8-18(13)25-2/h3-9,11,22H,10H2,1-2H3,(H,23,24)/b21-11-
InChIKeyWDZCYXJBRJBTKW-NHDPSOOVSA-N
MW371.89 g/mol
LogP4.54
Rot. Bonds5

About 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide

2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide (PubChem CID 136874831) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
PubChem CID136874831
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC Name2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCSc1ccc(Cl)cc1CC(=O)N/N=C\c1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H18ClN3OS/c1-12-16(15-5-3-4-6-17(15)22-12)11-21-23-19(24)10-13-9-14(20)7-8-18(13)25-2/h3-9,11,22H,10H2,1-2H3,(H,23,24)/b21-11-
InChIKeyWDZCYXJBRJBTKW-NHDPSOOVSA-N
XLogP4.54
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 110525442
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,5-dichloro-4-hydroxyphenyl)methylideneamino]acetamide
CID 136874829
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 110525431
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
CID 135420145
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 110525371
2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 968085
4-[3-chloro-5-(trifluoromethyl)phenyl]-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-oxobutanamide
CID 172960879
2-(3,4-dimethylphenoxy)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135569427
2-(4-bromo-2,6-dimethylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4660446
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]acetamide
CID 110525403
2-(5-chloro-2-ethylsulfanylphenyl)-N-[(Z)-(4-fluorophenyl)methylideneamino]acetamide
CID 110525270
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 110525301

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide (CID 136874831) is 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide is CSc1ccc(Cl)cc1CC(=O)N/N=C\c1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The InChIKey is WDZCYXJBRJBTKW-NHDPSOOVSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-12-16(15-5-3-4-6-17(15)22-12)11-21-23-19(24)10-13-9-14(20)7-8-18(13)25-2/h3-9,11,22H,10H2,1-2H3,(H,23,24)/b21-11-.
What are the key properties of 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide has a molecular weight of 371.89 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylsulfanylphenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 136874831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).