2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide

C18H15ClN4O2S2 — CID 135452296

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H15ClN4O2S2/c19-11-5-7-12(8-6-11)27-14-4-2-1-3-13(14)21-17(25)10-26-18-22-15(20)9-16(24)23-18/h1-9H,10H2,(H,21,25)(H3,20,22,23,24)
InChIKeyGHOKEKSXGIVOSX-UHFFFAOYSA-N
MW418.93 g/mol
LogP3.89
Rot. Bonds6

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide (PubChem CID 135452296) has the molecular formula C18H15ClN4O2S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
PubChem CID135452296
Molecular FormulaC18H15ClN4O2S2
Molecular Weight418.93 g/mol
Exact Mass418.03
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H15ClN4O2S2/c19-11-5-7-12(8-6-11)27-14-4-2-1-3-13(14)21-17(25)10-26-18-22-15(20)9-16(24)23-18/h1-9H,10H2,(H,21,25)(H3,20,22,23,24)
InChIKeyGHOKEKSXGIVOSX-UHFFFAOYSA-N
XLogP3.89
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2642676
N-(2-chlorophenyl)-2-{[6-oxo-5-(phenylsulfonyl)-1,6-dihydropyrimidin-2-yl]thio}acetamide
CID 6619944
2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)propanamide
CID 135401487
N-(2-chlorophenyl)-2-({4-hydroxy-6-[(phenylsulfonyl)amino]-2-pyrimidinyl}sulfanyl)acetamide
CID 135485205
2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)thio]-N-(2-chlorophenyl)acetamide
CID 4681455
2-(4-((4-chlorophenylthio)methyl)-6-oxo-1,6-dihydropyrimidin-2-ylthio)-N-(2,4-dichlorophenyl)acetamide
CID 135426174
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 135519923
2-(4-Amino-6-hydroxy-pyrimidin-2-ylsulfanyl)-N-(3-chloro-phenyl)-acetamide
CID 135416141
2-[[4-(benzenesulfonamido)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide
CID 135455080
2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 135457129
N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2052865
N-(3-chlorophenyl)-2-((3-(4-fluorophenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 2052866

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide (CID 135452296) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide is Nc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
The InChIKey is GHOKEKSXGIVOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S2/c19-11-5-7-12(8-6-11)27-14-4-2-1-3-13(14)21-17(25)10-26-18-22-15(20)9-16(24)23-18/h1-9H,10H2,(H,21,25)(H3,20,22,23,24).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide has a molecular weight of 418.93 g/mol, XLogP of 3.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 135452296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).