(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide

C18H17N5O2S — CID 8940806

IUPAC(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C18H17N5O2S/c1-10-4-5-15(25-3)14(6-10)22-17(24)11(2)26-18-13(9-20)7-12(8-19)16(21)23-18/h4-7,11H,1-3H3,(H2,21,23)(H,22,24)/t11-/m0/s1
InChIKeyMAJNTGUDHZZZCR-NSHDSACASA-N
MW367.43 g/mol
LogP2.84
Rot. Bonds5

About (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide

(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 8940806) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID8940806
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1C#N
InChIInChI=1S/C18H17N5O2S/c1-10-4-5-15(25-3)14(6-10)22-17(24)11(2)26-18-13(9-20)7-12(8-19)16(21)23-18/h4-7,11H,1-3H3,(H2,21,23)(H,22,24)/t11-/m0/s1
InChIKeyMAJNTGUDHZZZCR-NSHDSACASA-N
XLogP2.84
TPSA124.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide with MolForge

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Related Compounds

(2S)-N-(2-methoxy-5-methylphenyl)-2-phenylsulfanylpropanamide
CID 26733753
N-(2-methoxy-5-methylphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123978
(2R)-N-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8977829
(2R)-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 863594
(2R)-2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)propanamide
CID 97310540
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)propanamide
CID 23801718
2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 23998395
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(2-methoxy-5-methylphenyl)propanamide
CID 24585570
2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 23970591
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 46620838
4-[2-amino-6-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-3,5-dicyano-4-pyridinyl]-3-methyloxadiazol-3-ium-5-olate
CID 53295572

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide (CID 8940806) is (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1C#N.
What is the InChIKey of (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is MAJNTGUDHZZZCR-NSHDSACASA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-10-4-5-15(25-3)14(6-10)22-17(24)11(2)26-18-13(9-20)7-12(8-19)16(21)23-18/h4-7,11H,1-3H3,(H2,21,23)(H,22,24)/t11-/m0/s1.
What are the key properties of (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide?
(2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 367.43 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 8940806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).