N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide

C20H16ClN5O3S2 — CID 22518605

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc2nccnc2c(=O)n1Cc1cccs1
InChIInChI=1S/C20H16ClN5O3S2/c1-29-15-5-4-12(21)9-14(15)24-16(27)11-31-20-25-18-17(22-6-7-23-18)19(28)26(20)10-13-3-2-8-30-13/h2-9H,10-11H2,1H3,(H,24,27)
InChIKeyWSJSEOKUYAAXBS-UHFFFAOYSA-N
MW473.97 g/mol
LogP3.69
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide (PubChem CID 22518605) has the molecular formula C20H16ClN5O3S2 and a molecular weight of 473.97 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide
PubChem CID22518605
Molecular FormulaC20H16ClN5O3S2
Molecular Weight473.97 g/mol
Exact Mass473.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nc2nccnc2c(=O)n1Cc1cccs1
InChIInChI=1S/C20H16ClN5O3S2/c1-29-15-5-4-12(21)9-14(15)24-16(27)11-31-20-25-18-17(22-6-7-23-18)19(28)26(20)10-13-3-2-8-30-13/h2-9H,10-11H2,1H3,(H,24,27)
InChIKeyWSJSEOKUYAAXBS-UHFFFAOYSA-N
XLogP3.69
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.97
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methylbutyl)-4-oxopteridin-2-yl]sulfanylacetamide
CID 22518479
2-[3-[(4-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 22518520
2-[(4-chlorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)pteridin-4-one
CID 22518587
2-[3-[(2-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 22518394
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2478471
2-[3-[(4-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 22518535
N-(5-chloro-2-methoxyphenyl)-2-[3-(3-methoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 20879291
2-(3-butyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 46922541
2-[3-[(2-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 22518397
N-(2,5-dimethoxyphenyl)-2-[4-oxo-3-(2-thiophen-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
CID 46925644
N-(5-chloro-2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
CID 43816419
2-[3-[(2-chlorophenyl)methyl]-4-oxopteridin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 22518318

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide (CID 22518605) is N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CSc1nc2nccnc2c(=O)n1Cc1cccs1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide?
The InChIKey is WSJSEOKUYAAXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3S2/c1-29-15-5-4-12(21)9-14(15)24-16(27)11-31-20-25-18-17(22-6-7-23-18)19(28)26(20)10-13-3-2-8-30-13/h2-9H,10-11H2,1H3,(H,24,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide has a molecular weight of 473.97 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-3-(thiophen-2-ylmethyl)pteridin-2-yl]sulfanylacetamide is sourced from PubChem (CID 22518605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).