N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

C14H14ClN3O2S — CID 30595813

IUPACN-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2[nH]c(=O)ncc2C)cc1Cl
InChIInChI=1S/C14H14ClN3O2S/c1-8-3-4-10(5-11(8)15)17-12(19)7-21-13-9(2)6-16-14(20)18-13/h3-6H,7H2,1-2H3,(H,17,19)(H,16,18,20)
InChIKeyLVZXVGKLKJIGQA-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.77
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 30595813) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID30595813
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2[nH]c(=O)ncc2C)cc1Cl
InChIInChI=1S/C14H14ClN3O2S/c1-8-3-4-10(5-11(8)15)17-12(19)7-21-13-9(2)6-16-14(20)18-13/h3-6H,7H2,1-2H3,(H,17,19)(H,16,18,20)
InChIKeyLVZXVGKLKJIGQA-UHFFFAOYSA-N
XLogP2.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 16813592
N-(3-chloro-4-methylphenyl)-2-[(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135561880
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(3-chloro-4-methylphenyl)acetamide
CID 43301918
N-(3-chloro-4-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 808918
N-(3-chloro-4-methylphenyl)-2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135561618
2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 6486794
2-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]-N-methylacetamide
CID 136616946
N-(3-chloro-4-methylphenyl)-2-[(6-methylidene-5-oxo-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 78228773
2-[2-[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
CID 41342035
N-(3-chloro-4-methylphenyl)-2-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 6411063
N-(3-chloro-4-methylphenyl)-2-[(6,8-dimethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 6403233
2-[4-(3-chloro-4-methylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 7386529

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 30595813) is N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2[nH]c(=O)ncc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is LVZXVGKLKJIGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c1-8-3-4-10(5-11(8)15)17-12(19)7-21-13-9(2)6-16-14(20)18-13/h3-6H,7H2,1-2H3,(H,17,19)(H,16,18,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 323.81 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 30595813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).