N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

C20H14ClN3OS3 — CID 3516818

IUPACN-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2sccc12)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3OS3/c21-13-5-7-14(8-6-13)28-17-4-2-1-3-16(17)24-18(25)11-27-20-15-9-10-26-19(15)22-12-23-20/h1-10,12H,11H2,(H,24,25)
InChIKeyJRYVFIVLYMGQGP-UHFFFAOYSA-N
MW444.01 g/mol
LogP6.23
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (PubChem CID 3516818) has the molecular formula C20H14ClN3OS3 and a molecular weight of 444.01 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
PubChem CID3516818
Molecular FormulaC20H14ClN3OS3
Molecular Weight444.01 g/mol
Exact Mass443.00
IUPAC NameN-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2sccc12)Nc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3OS3/c21-13-5-7-14(8-6-13)28-17-4-2-1-3-16(17)24-18(25)11-27-20-15-9-10-26-19(15)22-12-23-20/h1-10,12H,11H2,(H,24,25)
InChIKeyJRYVFIVLYMGQGP-UHFFFAOYSA-N
XLogP6.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.01
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dichlorophenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 16541563
N-phenyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 4880072
N-(2-chloro-4-methylphenyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2707960
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4858269
N-cyclopentyl-2-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide
CID 7889162
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 55482148
N-(3-methyl-1,2-oxazol-5-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17450231
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 5233038
N-[(1S)-1,2-diphenylethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 9389594
N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2406271
N-[(1S)-1-(furan-2-yl)ethyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 41078126
N-[(2R)-4-phenylbutan-2-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 2707946

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide (CID 3516818) is N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is O=C(CSc1ncnc2sccc12)Nc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
The InChIKey is JRYVFIVLYMGQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3OS3/c21-13-5-7-14(8-6-13)28-17-4-2-1-3-16(17)24-18(25)11-27-20-15-9-10-26-19(15)22-12-23-20/h1-10,12H,11H2,(H,24,25).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide?
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide has a molecular weight of 444.01 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylphenyl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 3516818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).