(2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide

C15H17N3O3S — CID 7179977

IUPAC(2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide
SMILESCOc1ccccc1NC(=S)[C@H](C#N)C(=O)N1CCOCC1
InChIInChI=1S/C15H17N3O3S/c1-20-13-5-3-2-4-12(13)17-14(22)11(10-16)15(19)18-6-8-21-9-7-18/h2-5,11H,6-9H2,1H3,(H,17,22)/t11-/m0/s1
InChIKeyLNNKAZIDRMOBKQ-NSHDSACASA-N
MW319.39 g/mol
LogP1.43
Rot. Bonds4

About (2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide

(2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide (PubChem CID 7179977) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide.

Molecular Properties

Compound Name(2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide
PubChem CID7179977
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide
SMILESCOc1ccccc1NC(=S)[C@H](C#N)C(=O)N1CCOCC1
InChIInChI=1S/C15H17N3O3S/c1-20-13-5-3-2-4-12(13)17-14(22)11(10-16)15(19)18-6-8-21-9-7-18/h2-5,11H,6-9H2,1H3,(H,17,22)/t11-/m0/s1
InChIKeyLNNKAZIDRMOBKQ-NSHDSACASA-N
XLogP1.43
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-methoxyphenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanamide
CID 31695880
2-imino-N-(2-methoxyanilino)-2-morpholin-4-ylethanimidoyl cyanide
CID 6614545
(Z)-2-cyano-N-(2-methoxyphenyl)-3-(5-morpholin-4-ylfuran-2-yl)prop-2-enamide
CID 19131342
1-(1-cyanoethyl)-3-(2-methoxyphenyl)urea
CID 60969499
2-morpholin-4-ylethyl N-(2-methoxyphenyl)carbamate
CID 3087022
N-(2-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103826
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365446
N-(2-methoxyphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573867
2-morpholin-4-yl-2-oxo-N-(2-propan-2-yloxyphenyl)acetamide
CID 108984286
(2R)-2-cyano-N-(2-methoxyphenyl)-3-(1-methylindol-3-yl)-3-oxopropanamide
CID 98305933
(E)-2-cyano-3-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-N-(2-methoxyphenyl)prop-2-enamide
CID 6049053
N-(2-methoxyphenyl)-2-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 156608240

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide?
The IUPAC name of (2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide (CID 7179977) is (2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide.
What is the SMILES notation for (2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide?
The canonical SMILES for (2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide is COc1ccccc1NC(=S)[C@H](C#N)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide?
The InChIKey is LNNKAZIDRMOBKQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-20-13-5-3-2-4-12(13)17-14(22)11(10-16)15(19)18-6-8-21-9-7-18/h2-5,11H,6-9H2,1H3,(H,17,22)/t11-/m0/s1.
What are the key properties of (2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide?
(2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide has a molecular weight of 319.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-N-(2-methoxyphenyl)-3-morpholin-4-yl-3-oxopropanethioamide is sourced from PubChem (CID 7179977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).