2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide

C19H21N3O3S2 — CID 95186087

IUPAC2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCC[C@@H](C)n1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccsc2c1=O
InChIInChI=1S/C19H21N3O3S2/c1-4-12(2)22-18(24)17-15(9-10-26-17)21-19(22)27-11-16(23)20-13-5-7-14(25-3)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyPTXCLQYSGXSCDH-GFCCVEGCSA-N
MW403.53 g/mol
LogP4.17
Rot. Bonds7

About 2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide

2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 95186087) has the molecular formula C19H21N3O3S2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID95186087
Molecular FormulaC19H21N3O3S2
Molecular Weight403.53 g/mol
Exact Mass403.10
IUPAC Name2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCC[C@@H](C)n1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccsc2c1=O
InChIInChI=1S/C19H21N3O3S2/c1-4-12(2)22-18(24)17-15(9-10-26-17)21-19(22)27-11-16(23)20-13-5-7-14(25-3)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,20,23)/t12-/m1/s1
InChIKeyPTXCLQYSGXSCDH-GFCCVEGCSA-N
XLogP4.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-butan-2-yl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4524569
N-(4-methoxyphenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 33335871
2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 45492469
2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 95186071
6-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)hexanamide
CID 5323217
N-(3,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 46922298
methyl 4-[[2-[3-[(4-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate
CID 46921960
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7428484
2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 95186099
N-(4-acetamidophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198855
N-(2,5-dimethoxyphenyl)-2-[3-(2-methylpropyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide
CID 46922269
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2624390

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide (CID 95186087) is 2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide is CC[C@@H](C)n1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccsc2c1=O.
What is the InChIKey of 2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is PTXCLQYSGXSCDH-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N3O3S2/c1-4-12(2)22-18(24)17-15(9-10-26-17)21-19(22)27-11-16(23)20-13-5-7-14(25-3)8-6-13/h5-10,12H,4,11H2,1-3H3,(H,20,23)/t12-/m1/s1.
What are the key properties of 2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide?
2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 403.53 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 95186087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).