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

C15H17N3O4S — CID 16813592

IUPACN-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2[nH]c(=O)ncc2C)cc1OC
InChIInChI=1S/C15H17N3O4S/c1-9-7-16-15(20)18-14(9)23-8-13(19)17-10-4-5-11(21-2)12(6-10)22-3/h4-7H,8H2,1-3H3,(H,17,19)(H,16,18,20)
InChIKeyDFNZRAQWKSDXQK-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.83
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 16813592) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID16813592
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2[nH]c(=O)ncc2C)cc1OC
InChIInChI=1S/C15H17N3O4S/c1-9-7-16-15(20)18-14(9)23-8-13(19)17-10-4-5-11(21-2)12(6-10)22-3/h4-7H,8H2,1-3H3,(H,17,19)(H,16,18,20)
InChIKeyDFNZRAQWKSDXQK-UHFFFAOYSA-N
XLogP1.83
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595813
2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 30595777
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 16813597
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-methyl-1H-imidazole-5-carboxamide;ethane
CID 163392546
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 24628677
N-(3,4-dimethoxyphenyl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135888181
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2042300
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
methyl 2-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135780502
N-(3,4-dimethoxyphenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4055518

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 16813592) is N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is COc1ccc(NC(=O)CSc2[nH]c(=O)ncc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is DFNZRAQWKSDXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-9-7-16-15(20)18-14(9)23-8-13(19)17-10-4-5-11(21-2)12(6-10)22-3/h4-7H,8H2,1-3H3,(H,17,19)(H,16,18,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 335.39 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 16813592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).