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

C16H17ClN4O3S — CID 6463168

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C16H17ClN4O3S/c17-12-9-11(1-2-13(12)21-5-7-24-8-6-21)19-15(23)10-25-16-18-4-3-14(22)20-16/h1-4,9H,5-8,10H2,(H,19,23)(H,18,20,22)
InChIKeyQUYCXDXQZMMNLN-UHFFFAOYSA-N
MW380.86 g/mol
LogP1.99
Rot. Bonds5

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

N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 6463168) has the molecular formula C16H17ClN4O3S and a molecular weight of 380.86 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID6463168
Molecular FormulaC16H17ClN4O3S
Molecular Weight380.86 g/mol
Exact Mass380.07
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C16H17ClN4O3S/c17-12-9-11(1-2-13(12)21-5-7-24-8-6-21)19-15(23)10-25-16-18-4-3-14(22)20-16/h1-4,9H,5-8,10H2,(H,19,23)(H,18,20,22)
InChIKeyQUYCXDXQZMMNLN-UHFFFAOYSA-N
XLogP1.99
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 51.99
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
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-[4-(morpholin-4-yl)phenyl]-2-[(6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 2224947
N-(3-chloro-4-morpholin-4-ylphenyl)-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 15990182
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 135894590
2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 2956583
N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetamide
CID 135445405
2-[2-(3-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135473171
N-(2-chloro-4-morpholin-4-ylphenyl)-3-sulfanylpropanamide
CID 177681120
N-(3-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
CID 4818716

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 6463168) is N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSc1nccc(=O)[nH]1)Nc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is QUYCXDXQZMMNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3S/c17-12-9-11(1-2-13(12)21-5-7-24-8-6-21)19-15(23)10-25-16-18-4-3-14(22)20-16/h1-4,9H,5-8,10H2,(H,19,23)(H,18,20,22).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 380.86 g/mol, XLogP of 1.99, 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-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 6463168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).