2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide

C18H21N3OS — CID 139001832

IUPAC2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide
SMILESCc1ccc(C2CSCCN2CC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C18H21N3OS/c1-14-2-4-15(5-3-14)17-13-23-11-10-21(17)12-18(22)20-16-6-8-19-9-7-16/h2-9,17H,10-13H2,1H3,(H,19,20,22)
InChIKeyKDNKMWJGMMTDTB-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.12
Rot. Bonds4

About 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide

2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide (PubChem CID 139001832) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide
PubChem CID139001832
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide
SMILESCc1ccc(C2CSCCN2CC(=O)Nc2ccncc2)cc1
InChIInChI=1S/C18H21N3OS/c1-14-2-4-15(5-3-14)17-13-23-11-10-21(17)12-18(22)20-16-6-8-19-9-7-16/h2-9,17H,10-13H2,1H3,(H,19,20,22)
InChIKeyKDNKMWJGMMTDTB-UHFFFAOYSA-N
XLogP3.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methylphenyl)thiomorpholin-4-yl]acetic acid
CID 119135595
N-(4-fluorophenyl)-2-[(3S)-3-(1-methylpyrazol-4-yl)thiomorpholin-4-yl]acetamide
CID 99779305
2-[3-(4-methylphenyl)thiomorpholin-4-yl]-1-morpholin-4-ylethanone
CID 56791534
N-(4-methylphenyl)-2-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 95149005
N-(2-chloro-3-pyridinyl)-2-(3-phenylthiomorpholin-4-yl)acetamide
CID 56805855
2-[4-[2-(3-methylanilino)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66444586
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82897547
N-(4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446431
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-[2-(4-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55551245
2-[4-(2-anilino-2-oxoethyl)thiomorpholin-3-yl]acetic acid
CID 66445341
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide (CID 139001832) is 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide is Cc1ccc(C2CSCCN2CC(=O)Nc2ccncc2)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide?
The InChIKey is KDNKMWJGMMTDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-14-2-4-15(5-3-14)17-13-23-11-10-21(17)12-18(22)20-16-6-8-19-9-7-16/h2-9,17H,10-13H2,1H3,(H,19,20,22).
What are the key properties of 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide?
2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide has a molecular weight of 327.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)thiomorpholin-4-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 139001832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).