(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide

C17H17N3OS — CID 7338416

IUPAC(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
SMILESCc1nc(S[C@@H](C(N)=O)c2ccccc2)c(C#N)c(C)c1C
InChIInChI=1S/C17H17N3OS/c1-10-11(2)14(9-18)17(20-12(10)3)22-15(16(19)21)13-7-5-4-6-8-13/h4-8,15H,1-3H3,(H2,19,21)/t15-/m1/s1
InChIKeyAHNSVLXRPVZMJI-OAHLLOKOSA-N
MW311.41 g/mol
LogP3.20
Rot. Bonds4

About (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide

(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide (PubChem CID 7338416) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
PubChem CID7338416
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide
SMILESCc1nc(S[C@@H](C(N)=O)c2ccccc2)c(C#N)c(C)c1C
InChIInChI=1S/C17H17N3OS/c1-10-11(2)14(9-18)17(20-12(10)3)22-15(16(19)21)13-7-5-4-6-8-13/h4-8,15H,1-3H3,(H2,19,21)/t15-/m1/s1
InChIKeyAHNSVLXRPVZMJI-OAHLLOKOSA-N
XLogP3.20
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 42894331
(2S)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 7491383
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 707628
2-[(3-cyano-4-methyl-6-phenyl-2-pyridinyl)sulfanyl]-2-phenylacetic acid
CID 143568493
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]acetic acid
CID 695730
2-[[6-(2-amino-2-oxo-1-phenylethyl)sulfanyl-3,5-dicyano-4-ethyl-2-pyridinyl]-methylamino]ethyl carbamate
CID 175231008
2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53270242
2-[[3,5-dicyano-4-ethyl-6-(2H-pyridin-1-yl)-2-pyridinyl]sulfanyl]-2-phenylacetamide
CID 152538477
[[6-(2-amino-2-oxo-1-phenylethyl)sulfanyl-3,5-dicyano-4-ethyl-2-pyridinyl]-methylamino] ethyl hydrogen phosphate
CID 175231152
methyl 2-[[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetate
CID 135980955
2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53270249
2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 58739814

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide (CID 7338416) is (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide is Cc1nc(S[C@@H](C(N)=O)c2ccccc2)c(C#N)c(C)c1C.
What is the InChIKey of (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide?
The InChIKey is AHNSVLXRPVZMJI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-10-11(2)14(9-18)17(20-12(10)3)22-15(16(19)21)13-7-5-4-6-8-13/h4-8,15H,1-3H3,(H2,19,21)/t15-/m1/s1.
What are the key properties of (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide?
(2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide has a molecular weight of 311.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-2-phenylacetamide is sourced from PubChem (CID 7338416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).