N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide

C21H19ClN4O3S2 — CID 4793833

IUPACN-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide
SMILESCCc1cc2c(=O)n(Cc3ccco3)c(SC(C)C(=O)Nc3ccc(Cl)cn3)nc2s1
InChIInChI=1S/C21H19ClN4O3S2/c1-3-15-9-16-19(31-15)25-21(26(20(16)28)11-14-5-4-8-29-14)30-12(2)18(27)24-17-7-6-13(22)10-23-17/h4-10,12H,3,11H2,1-2H3,(H,23,24,27)
InChIKeyOBYAHTSMXGRVMZ-UHFFFAOYSA-N
MW475.00 g/mol
LogP4.83
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide

N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide (PubChem CID 4793833) has the molecular formula C21H19ClN4O3S2 and a molecular weight of 475.00 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide
PubChem CID4793833
Molecular FormulaC21H19ClN4O3S2
Molecular Weight475.00 g/mol
Exact Mass474.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide
SMILESCCc1cc2c(=O)n(Cc3ccco3)c(SC(C)C(=O)Nc3ccc(Cl)cn3)nc2s1
InChIInChI=1S/C21H19ClN4O3S2/c1-3-15-9-16-19(31-15)25-21(26(20(16)28)11-14-5-4-8-29-14)30-12(2)18(27)24-17-7-6-13(22)10-23-17/h4-10,12H,3,11H2,1-2H3,(H,23,24,27)
InChIKeyOBYAHTSMXGRVMZ-UHFFFAOYSA-N
XLogP4.83
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.00
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide
CID 41101610
(2R)-N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide
CID 41101611
2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 6488794
(2R)-2-[[5-(4-tert-butylphenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 2575691
N-carbamoyl-2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 4818989
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide
CID 9329578
6-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 6488789
(2R)-2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 2514569
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide
CID 9407482
(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7986631
N-(2-chloro-4-nitrophenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 46787480
2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 2564737

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide (CID 4793833) is N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide is CCc1cc2c(=O)n(Cc3ccco3)c(SC(C)C(=O)Nc3ccc(Cl)cn3)nc2s1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide?
The InChIKey is OBYAHTSMXGRVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S2/c1-3-15-9-16-19(31-15)25-21(26(20(16)28)11-14-5-4-8-29-14)30-12(2)18(27)24-17-7-6-13(22)10-23-17/h4-10,12H,3,11H2,1-2H3,(H,23,24,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide?
N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide has a molecular weight of 475.00 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 4793833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).