N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide

C17H15N3O3S2 — CID 17415574

IUPACN-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
SMILESCSc1ccc(C(=O)Cn2cnc3ccsc3c2=O)cc1NC(C)=O
InChIInChI=1S/C17H15N3O3S2/c1-10(21)19-13-7-11(3-4-15(13)24-2)14(22)8-20-9-18-12-5-6-25-16(12)17(20)23/h3-7,9H,8H2,1-2H3,(H,19,21)
InChIKeyHCJDSDXAMCCDAL-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.02
Rot. Bonds5

About N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide

N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide (PubChem CID 17415574) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
PubChem CID17415574
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC NameN-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide
SMILESCSc1ccc(C(=O)Cn2cnc3ccsc3c2=O)cc1NC(C)=O
InChIInChI=1S/C17H15N3O3S2/c1-10(21)19-13-7-11(3-4-15(13)24-2)14(22)8-20-9-18-12-5-6-25-16(12)17(20)23/h3-7,9H,8H2,1-2H3,(H,19,21)
InChIKeyHCJDSDXAMCCDAL-UHFFFAOYSA-N
XLogP3.02
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 18123516
3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 33278023
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 17485513
3-methyl-4-(4-oxothieno[3,2-d]pyrimidin-3-yl)but-2-enoic acid
CID 77005789
N-[4-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2-methylsulfanylphenyl]acetamide
CID 52641955
N-cyclopropyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 33277929
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 60700955
3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 18123501
N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 27065113
ethyl 2-[[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 17414187
3-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 41095519
4-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzohydrazide
CID 63577775

Frequently Asked Questions

What is the IUPAC name of N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide?
The IUPAC name of N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide (CID 17415574) is N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide.
What is the SMILES notation for N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide?
The canonical SMILES for N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide is CSc1ccc(C(=O)Cn2cnc3ccsc3c2=O)cc1NC(C)=O.
What is the InChIKey of N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide?
The InChIKey is HCJDSDXAMCCDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-10(21)19-13-7-11(3-4-15(13)24-2)14(22)8-20-9-18-12-5-6-25-16(12)17(20)23/h3-7,9H,8H2,1-2H3,(H,19,21).
What are the key properties of N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide?
N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide has a molecular weight of 373.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methylsulfanyl-5-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]phenyl]acetamide is sourced from PubChem (CID 17415574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).