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

C22H19N3OS2 — CID 2090541

IUPACN-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCN(Cc1ccccc1)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C22H19N3OS2/c1-25(13-16-8-4-2-5-9-16)20(26)14-27-21-18-12-19(17-10-6-3-7-11-17)28-22(18)24-15-23-21/h2-12,15H,13-14H2,1H3
InChIKeyBUXZTVXWFXMTPO-UHFFFAOYSA-N
MW405.55 g/mol
LogP5.11
Rot. Bonds6

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

N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 2090541) has the molecular formula C22H19N3OS2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID2090541
Molecular FormulaC22H19N3OS2
Molecular Weight405.55 g/mol
Exact Mass405.10
IUPAC NameN-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCN(Cc1ccccc1)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C22H19N3OS2/c1-25(13-16-8-4-2-5-9-16)20(26)14-27-21-18-12-19(17-10-6-3-7-11-17)28-22(18)24-15-23-21/h2-12,15H,13-14H2,1H3
InChIKeyBUXZTVXWFXMTPO-UHFFFAOYSA-N
XLogP5.11
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 16541521
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
CID 4809970
4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 7674132
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide
CID 39158958
2-[6-(3-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
CID 162676425
N-benzyl-N-methyl-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
CID 7886472
N-(tert-butylcarbamoyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 4811737
(2S)-N,N-dimethyl-2-phenyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 40647327
4-[(3-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 16541507
4-[(3-bromophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 28953931
4-(2-ethoxyethylsulfanyl)-6-phenylthieno[2,3-d]pyrimidine
CID 112783394
N-(3-fluoro-4-methylphenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7906126

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide (CID 2090541) is N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is CN(Cc1ccccc1)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is BUXZTVXWFXMTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS2/c1-25(13-16-8-4-2-5-9-16)20(26)14-27-21-18-12-19(17-10-6-3-7-11-17)28-22(18)24-15-23-21/h2-12,15H,13-14H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide?
N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 405.55 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 2090541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).