2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide

C22H21N3O2S — CID 43812140

IUPAC2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1
InChIInChI=1S/C22H21N3O2S/c1-14(2)15-7-8-20-16(9-15)10-17(12-23)22(25-20)28-13-21(26)24-18-5-4-6-19(11-18)27-3/h4-11,14H,13H2,1-3H3,(H,24,26)
InChIKeyNQISKVPMHGDMIB-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.97
Rot. Bonds6

About 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide

2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 43812140) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID43812140
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1
InChIInChI=1S/C22H21N3O2S/c1-14(2)15-7-8-20-16(9-15)10-17(12-23)22(25-20)28-13-21(26)24-18-5-4-6-19(11-18)27-3/h4-11,14H,13H2,1-3H3,(H,24,26)
InChIKeyNQISKVPMHGDMIB-UHFFFAOYSA-N
XLogP4.97
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 43812559
methyl 4-[[2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 43812149
2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]acetamide
CID 43812159
methyl 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetate
CID 3207602
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 1450389
N-(2-chlorophenyl)-2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetamide
CID 43812152
2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 3207601
N-[(2R)-butan-2-yl]-2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetamide
CID 7383493
2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43812155
2-[(3-cyano-6-thiophen-2-yl-2-pyridinyl)sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 4013372
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1450449
ethyl 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanylacetate
CID 3207603

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide (CID 43812140) is 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CSc2nc3ccc(C(C)C)cc3cc2C#N)c1.
What is the InChIKey of 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is NQISKVPMHGDMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-14(2)15-7-8-20-16(9-15)10-17(12-23)22(25-20)28-13-21(26)24-18-5-4-6-19(11-18)27-3/h4-11,14H,13H2,1-3H3,(H,24,26).
What are the key properties of 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide?
2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 391.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-6-propan-2-ylquinolin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 43812140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).