(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide

C16H16IN3OS — CID 27059714

IUPAC(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide
SMILESC/C(=N/NC(=O)[C@@H](C)Sc1ccccn1)c1cccc(I)c1
InChIInChI=1S/C16H16IN3OS/c1-11(13-6-5-7-14(17)10-13)19-20-16(21)12(2)22-15-8-3-4-9-18-15/h3-10,12H,1-2H3,(H,20,21)/b19-11-/t12-/m1/s1
InChIKeyCUCVGUBDKOCNAO-ZDFPAGSVSA-N
MW425.30 g/mol
LogP3.71
Rot. Bonds5

About (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide

(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 27059714) has the molecular formula C16H16IN3OS and a molecular weight of 425.30 g/mol. Its IUPAC name is (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide
PubChem CID27059714
Molecular FormulaC16H16IN3OS
Molecular Weight425.30 g/mol
Exact Mass425.01
IUPAC Name(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide
SMILESC/C(=N/NC(=O)[C@@H](C)Sc1ccccn1)c1cccc(I)c1
InChIInChI=1S/C16H16IN3OS/c1-11(13-6-5-7-14(17)10-13)19-20-16(21)12(2)22-15-8-3-4-9-18-15/h3-10,12H,1-2H3,(H,20,21)/b19-11-/t12-/m1/s1
InChIKeyCUCVGUBDKOCNAO-ZDFPAGSVSA-N
XLogP3.71
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-methoxy-2-phenylacetamide
CID 7330111
N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide
CID 3954885
(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
CID 97251469
N-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
(2S)-N-[3-(carbamoylamino)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97003188
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 4102205
(2R)-N-[(Z)-1-(3-bromophenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126124192
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 4272831
2-pyridin-2-ylsulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 75850905
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
CID 5376677

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide (CID 27059714) is (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide is C/C(=N/NC(=O)[C@@H](C)Sc1ccccn1)c1cccc(I)c1.
What is the InChIKey of (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is CUCVGUBDKOCNAO-ZDFPAGSVSA-N. The full InChI is InChI=1S/C16H16IN3OS/c1-11(13-6-5-7-14(17)10-13)19-20-16(21)12(2)22-15-8-3-4-9-18-15/h3-10,12H,1-2H3,(H,20,21)/b19-11-/t12-/m1/s1.
What are the key properties of (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide?
(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 425.30 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 27059714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).