N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide

C17H16ClN3O2S2 — CID 45076627

IUPACN-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1cc2c(=O)n(C)c(C)nc2s1
InChIInChI=1S/C17H16ClN3O2S2/c1-9-4-5-11(18)6-13(9)20-14(22)8-24-15-7-12-16(25-15)19-10(2)21(3)17(12)23/h4-7H,8H2,1-3H3,(H,20,22)
InChIKeyXWZFZLKHXSTUAW-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.00
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide

N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide (PubChem CID 45076627) has the molecular formula C17H16ClN3O2S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide
PubChem CID45076627
Molecular FormulaC17H16ClN3O2S2
Molecular Weight393.92 g/mol
Exact Mass393.04
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1cc2c(=O)n(C)c(C)nc2s1
InChIInChI=1S/C17H16ClN3O2S2/c1-9-4-5-11(18)6-13(9)20-14(22)8-24-15-7-12-16(25-15)19-10(2)21(3)17(12)23/h4-7H,8H2,1-3H3,(H,20,22)
InChIKeyXWZFZLKHXSTUAW-UHFFFAOYSA-N
XLogP4.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 45076654
2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 45076666
N-(5-chloro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 891795
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 1311263
2-(4-amino-3-methylphenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79127669
N-(5-chloro-2-methylphenyl)-2-[(4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl)sulfanyl]acetamide
CID 7520050
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2603871
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 7846484
4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanylthiophene-2-carboxylic acid
CID 79131790
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-2-(4-oxo-3-propylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 46921536

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide (CID 45076627) is N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide is Cc1ccc(Cl)cc1NC(=O)CSc1cc2c(=O)n(C)c(C)nc2s1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide?
The InChIKey is XWZFZLKHXSTUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S2/c1-9-4-5-11(18)6-13(9)20-14(22)8-24-15-7-12-16(25-15)19-10(2)21(3)17(12)23/h4-7H,8H2,1-3H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide?
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide has a molecular weight of 393.92 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(2,3-dimethyl-4-oxothieno[2,3-d]pyrimidin-6-yl)sulfanylacetamide is sourced from PubChem (CID 45076627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).