N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C17H19ClN4O3S — CID 135445405

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1
InChIInChI=1S/C17H19ClN4O3S/c1-11-8-15(23)21-17(19-11)26-10-16(24)20-12-2-3-14(13(18)9-12)22-4-6-25-7-5-22/h2-3,8-9H,4-7,10H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyHQUWUMHBPXHLHQ-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.30
Rot. Bonds5

About N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135445405) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135445405
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1
InChIInChI=1S/C17H19ClN4O3S/c1-11-8-15(23)21-17(19-11)26-10-16(24)20-12-2-3-14(13(18)9-12)22-4-6-25-7-5-22/h2-3,8-9H,4-7,10H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyHQUWUMHBPXHLHQ-UHFFFAOYSA-N
XLogP2.30
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135464466
3-(4-Chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2052870
N-[3-chloro-4-(morpholin-4-yl)phenyl]-2-[(6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 6463168
N-(3-chloro-4-morpholino-phenyl)-5-keto-3,7-dimethyl-thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990076
N-(4-chlorophenyl)-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
CID 16303723
N-(2-chlorophenyl)-2-[2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl]acetamide
CID 16304239
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135513587
N-(2-chlorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
CID 135558610
N-[4-(morpholin-4-yl)phenyl]-2-[(6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 2224947
N-(3-chloro-4-morpholino-phenyl)-5-keto-7-methyl-thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990182
N-(3-Chloro-4-methylphenyl)-2-{[6-(2-methoxyethyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-2-YL]sulfanyl}acetamide
CID 135546917
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 135894590

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135445405) is N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is HQUWUMHBPXHLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c1-11-8-15(23)21-17(19-11)26-10-16(24)20-12-2-3-14(13(18)9-12)22-4-6-25-7-5-22/h2-3,8-9H,4-7,10H2,1H3,(H,20,24)(H,19,21,23).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 394.88 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135445405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).