N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

C19H21N5O3S2 — CID 55571113

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CSc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H21N5O3S2/c1-9-10(2)29-18-16(9)17(20)23-19(24-18)28-8-15(26)22-13-7-12(21-11(3)25)5-6-14(13)27-4/h5-7H,8H2,1-4H3,(H,21,25)(H,22,26)(H2,20,23,24)
InChIKeyWLIVXDBDCMQENP-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.59
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 55571113) has the molecular formula C19H21N5O3S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID55571113
Molecular FormulaC19H21N5O3S2
Molecular Weight431.54 g/mol
Exact Mass431.11
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CSc1nc(N)c2c(C)c(C)sc2n1
InChIInChI=1S/C19H21N5O3S2/c1-9-10(2)29-18-16(9)17(20)23-19(24-18)28-8-15(26)22-13-7-12(21-11(3)25)5-6-14(13)27-4/h5-7H,8H2,1-4H3,(H,21,25)(H,22,26)(H2,20,23,24)
InChIKeyWLIVXDBDCMQENP-UHFFFAOYSA-N
XLogP3.59
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 39049445
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,4-difluorophenyl)acetamide
CID 46572910
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-propoxyphenyl)acetamide
CID 46572939
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 46572885
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 46572856
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 39049485
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 56521339
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43058571
2-(2-cyclopropyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1466870
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 46572917
N-(3-amino-4-methoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 119420214
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 26552817

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (CID 55571113) is N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc(N)c2c(C)c(C)sc2n1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is WLIVXDBDCMQENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S2/c1-9-10(2)29-18-16(9)17(20)23-19(24-18)28-8-15(26)22-13-7-12(21-11(3)25)5-6-14(13)27-4/h5-7H,8H2,1-4H3,(H,21,25)(H,22,26)(H2,20,23,24).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 431.54 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 55571113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).