N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

C23H21N3O2S2 — CID 16541500

IUPACN-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2nc(C)nc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C23H21N3O2S2/c1-15-25-22(19-12-20(30-23(19)26-15)17-6-4-3-5-7-17)29-14-21(27)24-13-16-8-10-18(28-2)11-9-16/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyFVWSECGHJKFOLN-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.08
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 16541500) has the molecular formula C23H21N3O2S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID16541500
Molecular FormulaC23H21N3O2S2
Molecular Weight435.57 g/mol
Exact Mass435.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCOc1ccc(CNC(=O)CSc2nc(C)nc3sc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C23H21N3O2S2/c1-15-25-22(19-12-20(30-23(19)26-15)17-6-4-3-5-7-17)29-14-21(27)24-13-16-8-10-18(28-2)11-9-16/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyFVWSECGHJKFOLN-UHFFFAOYSA-N
XLogP5.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(methylcarbamoyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7888342
1-(2,5-dimethoxyphenyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 18207893
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133917
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7888379
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2608166
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one
CID 7888344
N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 763193
N-[(3-methoxyphenyl)methyl]-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CID 43816558
N-(4-methoxyphenyl)-2-[[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide
CID 16541510
N-benzyl-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 5067092
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
CID 4809970

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 16541500) is N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is COc1ccc(CNC(=O)CSc2nc(C)nc3sc(-c4ccccc4)cc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is FVWSECGHJKFOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S2/c1-15-25-22(19-12-20(30-23(19)26-15)17-6-4-3-5-7-17)29-14-21(27)24-13-16-8-10-18(28-2)11-9-16/h3-12H,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 435.57 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 16541500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).