N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide

C19H21N3OS2 — CID 39075440

IUPACN-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
SMILESCCc1cc2c(SCC(=O)N(C)Cc3ccccc3)nc(C)nc2s1
InChIInChI=1S/C19H21N3OS2/c1-4-15-10-16-18(20-13(2)21-19(16)25-15)24-12-17(23)22(3)11-14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3
InChIKeyGQRDSYZAJXRKTN-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.31
Rot. Bonds6

About N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide

N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide (PubChem CID 39075440) has the molecular formula C19H21N3OS2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
PubChem CID39075440
Molecular FormulaC19H21N3OS2
Molecular Weight371.53 g/mol
Exact Mass371.11
IUPAC NameN-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
SMILESCCc1cc2c(SCC(=O)N(C)Cc3ccccc3)nc(C)nc2s1
InChIInChI=1S/C19H21N3OS2/c1-4-15-10-16-18(20-13(2)21-19(16)25-15)24-12-17(23)22(3)11-14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3
InChIKeyGQRDSYZAJXRKTN-UHFFFAOYSA-N
XLogP4.31
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylacetamide
CID 39081894
N-cyclohexyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide
CID 39075427
N-benzyl-N-methyl-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
CID 2612534
N-butyl-N-ethyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 39075413
2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 35477134
5-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 28896346
1-(azepan-1-yl)-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
CID 39075356
N-[(3-fluorophenyl)methyl]-N-methyl-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7680634
N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2090541
N-(1,3-benzodioxol-5-ylmethyl)-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 39083209
N-methyl-N-[(2-methylphenyl)methyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145645
2-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methyl-N-phenylacetamide
CID 39081926

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide?
The IUPAC name of N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide (CID 39075440) is N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide is CCc1cc2c(SCC(=O)N(C)Cc3ccccc3)nc(C)nc2s1.
What is the InChIKey of N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide?
The InChIKey is GQRDSYZAJXRKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS2/c1-4-15-10-16-18(20-13(2)21-19(16)25-15)24-12-17(23)22(3)11-14-8-6-5-7-9-14/h5-10H,4,11-12H2,1-3H3.
What are the key properties of N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide?
N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide has a molecular weight of 371.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-methylacetamide is sourced from PubChem (CID 39075440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).