N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide

C16H19N3O2S — CID 50855547

IUPACN-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)N/N=C\c2ccc(C)n2C)cc1
InChIInChI=1S/C16H19N3O2S/c1-12-4-5-13(19(12)2)10-17-18-16(20)11-22-15-8-6-14(21-3)7-9-15/h4-10H,11H2,1-3H3,(H,18,20)/b17-10-
InChIKeyVJDJQJLSIVFXMM-YVLHZVERSA-N
MW317.41 g/mol
LogP2.58
Rot. Bonds6

About N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide

N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 50855547) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID50855547
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)N/N=C\c2ccc(C)n2C)cc1
InChIInChI=1S/C16H19N3O2S/c1-12-4-5-13(19(12)2)10-17-18-16(20)11-22-15-8-6-14(21-3)7-9-15/h4-10H,11H2,1-3H3,(H,18,20)/b17-10-
InChIKeyVJDJQJLSIVFXMM-YVLHZVERSA-N
XLogP2.58
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 135716269
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 689942
2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 50866004
N-[(E)-(1-cyclopentylpyrrol-3-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 50854136
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 126105215
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 50855546
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 19208862
N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 50867546
2-(4-methoxyanilino)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5427968
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[[5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 6371276
N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 6385994
N-[(Z)-[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 126223643

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide (CID 50855547) is N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)N/N=C\c2ccc(C)n2C)cc1.
What is the InChIKey of N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is VJDJQJLSIVFXMM-YVLHZVERSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-4-5-13(19(12)2)10-17-18-16(20)11-22-15-8-6-14(21-3)7-9-15/h4-10H,11H2,1-3H3,(H,18,20)/b17-10-.
What are the key properties of N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide?
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 317.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 50855547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).